Chemical Properties of (2E,4E,10E)-11-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)undeca-2,4,10-trien-1-one (CAS 88660-11-1)

(2E,4E,10E)-11-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)undeca-2,4,10-trien-1-one

InChI
InChI=1S/C23H29NO3/c25-23(24-16-10-7-11-17-24)13-9-6-4-2-1-3-5-8-12-20-14-15-21-22(18-20)27-19-26-21/h4,6,8-9,12-15,18H,1-3,5,7,10-11,16-17,19H2/b6-4+,12-8+,13-9+
InChI Key
BADLEYLQAILHPV-AZMZBSBOSA-N
Formula
C23H29NO3
SMILES
O=C(C=CC=CCCCCC=Cc1ccc2c(c1)OCO2)N1CCCCC1
Molecular Weight1
367.48
CAS
88660-11-1
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
log10WS -5.57 Relay (1.0) Calculated Property
logPoct/wat 5.114 Crippen Calculated Property
McVol 299.840 ml/mol McGowan Calculated Property
Inp [3018.80; 3018.80]   Show Hide
Inp 3018.80 NIST
Inp 3018.80 NIST
Tfus 389.34 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

(2E,4E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)nona-2,4,8-trien-1-one. (2E,4E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)nona-2,4,8-trien-1-one. (2E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)nona-2,8-dien-1-one. (2E,10E)-11-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)undeca-2,10-dien-1-one. (2E,6E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)hepta-2,6-dien-1-one. (2E,4E,6E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)hepta-2,4,6-trien-1-one. Piperine. Chavicine. Quinine, trimethylsilyl ether. Benazepril Me. Moexipril Me. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Moexipril desethyl 3Me (Moexprilate 3Me). xanthosine-5'-monophosphate, TMS. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate.

Find more compounds similar to (2E,4E,10E)-11-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)undeca-2,4,10-trien-1-one.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.