Chemical Properties of (4aS,7S,7aR)-4,7-Dimethyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1(4aH)-one (CAS 21651-62-7)

(4aS,7S,7aR)-4,7-Dimethyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1(4aH)-one

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InChI
InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3
InChI Key
ZDKZHVNKFOXMND-UHFFFAOYSA-N
Formula
C10H14O2
SMILES
CC1=COC(=O)C2C(C)CCC12
Molecular Weight1
166.22
CAS
21651-62-7
Other Names
  • (+)-(4aS,7S,7aR)-Nepetalactone
  • (+)-cis,trans-Nepetalactone
  • (4aS,7S,7aR)-Nepetalactone
  • 4a«alpha»,7«alpha»,7a«alpha»-Nepetalactone
  • 4a«alpha»,7«beta»,7a«alpha»-Nepetalactone
  • Cyclopenta[c]pyran-1(4aH)-one, 5,6,7,7a-tetrahydro-4,7-dimethyl-, (4aS,7S,7aR)-
  • Cyclopenta[c]pyran-1(4aH)-one, 5,6,7,7a-tetrahydro-4,7-dimethyl-, [4aS-(4a«alpha»,7«alpha»,7a«alpha»)]-
  • Cyclopenta[c]pyran-1(4aH)-one, 5,6,7,7a-tetrahydro-4,7«alpha»-dimethyl-, (+)-
  • Nepetalactone, cis-trans-
  • cis-trans-Nepetalactone
Sources

Physical Properties

Property Value Unit Source
Δf -77.57 kJ/mol Joback Calculated Property
Δfgas -366.34 kJ/mol Joback Calculated Property
Δfus 21.02 kJ/mol Joback Calculated Property
Δvap 47.60 kJ/mol Joback Calculated Property
logPoct/wat 2.11 Crippen Calculated Property
Pc 2989.32 kPa Joback Calculated Property
Tboil 548.73 K Joback Calculated Property
Tc 780.29 K Joback Calculated Property
Tfus 331.61 K Joback Calculated Property
Vc 0.50 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 339.65 J/mol×K 548.73 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 1
>C=O (ring) 1
=CH- (ring) 1
=C< (ring) 1
-CH3 2
>CH- (ring) 3
-CH2- (ring) 2

Similar Compounds

4a«beta»,7«alpha»,7a«beta»-Nepetalactone. 4a«alpha»,7«alpha»,7a«alpha»-Nepetalactone. (4aR,7S,7aS)-4,7-Dimethyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1(4aH)-one. 4a«alpha»,7«alpha»,7a«beta»-Nepetalactone. Nepetalactone. epi-Nepeta lactone. 4a«beta»,7«alpha»,7a«alpha»-Nepetalactone. 4a«alpha»,7«beta»,7a«beta»-Nepetalactone. Methyl-«gamma»-Campholytate. Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, methyl ester, exo-. Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, methyl ester, endo-. 5-Norbornene-2-carboxylic acid,methyl ester. Ent- agathic acid methyl ester. GA1 1,10-ene diacid, MeTMS. Methyl helifolen-15-oate.

Find more compounds similar to (4aS,7S,7aR)-4,7-Dimethyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1(4aH)-one.

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