Chemical Properties of (2R,3R,4aR,5S)-2-Hydroxy-4a,5-dimethyl-3-(prop-1-en-2-yl)-3,4,4a,5,6,7-hexahydronaphthalen-1(2H)-one (CAS 5090-90-4)

(2R,3R,4aR,5S)-2-Hydroxy-4a,5-dimethyl-3-(prop-1-en-2-yl)-3,4,4a,5,6,7-hexahydronaphthalen-1(2H)-one

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InChI
InChI=1S/C15H22O2/c1-9(2)11-8-15(4)10(3)6-5-7-12(15)14(17)13(11)16/h7,10-11,13,16H,1,5-6,8H2,2-4H3
InChI Key
XFRADCOKSLIXIG-UHFFFAOYSA-N
Formula
C15H22O2
SMILES
C=C(C)C1CC2(C)C(=CCCC2C)C(=O)C1O
Molecular Weight1
234.33
CAS
5090-90-4
Sources

Physical Properties

Property Value Unit Source
Δf -32.18 kJ/mol Joback Calculated Property
Δfgas -385.39 kJ/mol Joback Calculated Property
Δfus 20.16 kJ/mol Joback Calculated Property
Δvap 69.02 kJ/mol Joback Calculated Property
logPoct/wat 2.88 Crippen Calculated Property
Pc 2216.62 kPa Joback Calculated Property
Tboil 724.76 K Joback Calculated Property
Tc 943.96 K Joback Calculated Property
Tfus 422.63 K Joback Calculated Property
Vc 0.75 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 610.52 J/mol×K 724.76 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< 1
=CH- (ring) 1
=CH2 1
=C< (ring) 1
-CH3 3
>C< (ring) 1
>C=O (ring) 1
>CH- (ring) 3
-OH (alcohol) 1
-CH2- (ring) 3

Similar Compounds

5,16-Pregnadien-3beta-ol-20-one. 7«alpha»-Hydroxyeudesm-4-en-6-one. ent-7-Hydroxy-eudesm-4-en-6-one. (-)-(7S,10S)-7-hydroxyeudesm-4-en-6-one. Aldehyde of bryodulcosigenine 5. (3S,4aR,5S)-4a,5-Dimethyl-3-(prop-1-en-2-yl)-3,4,4a,5,6,7-hexahydronaphthalen-1(2H)-one. 7,10-Anhydro-11,12-dihydrochiloscypholone. Lippifoli-1(6)-en-4 .beta.-ol-5-one. (2R,3R,4aR,5S,8aS)-2-Hydroxy-4a,5-dimethyl-3-(prop-1-en-2-yl)-2,3,4,4a,5,6-hexahydronaphthalen-1(8aH)-one. Cholesterol, 7-oxo-. 3«beta»-Hydroxystigmast-5-en-7-one. Cortisone. Pregn-5-en-20-one, 3,17-dihydroxy-, (3«beta»)-. 3Beta,6alpha-dihydroxy-5alpha-pregn-16-en-20-one. 11Beta,21-dihydroxypregn-4-ene-3,20-dione.

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