9-cyclopropyl-7-ethyl-7-methyl-8-propyl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-one

C23H36O — CID 70992227

IUPAC9-cyclopropyl-7-ethyl-7-methyl-8-propyl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-one
SMILESCCCC1C2C(C3CC3)CC3=CC(=O)CCC3C2CCC1(C)CC
InChIInChI=1S/C23H36O/c1-4-6-21-22-19(11-12-23(21,3)5-2)18-10-9-17(24)13-16(18)14-20(22)15-7-8-15/h13,15,18-22H,4-12,14H2,1-3H3
InChIKeyPVXUWNSDNLFVCH-UHFFFAOYSA-N
MW328.54 g/mol
LogP6.18
Rot. Bonds4

About 9-cyclopropyl-7-ethyl-7-methyl-8-propyl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-one

9-cyclopropyl-7-ethyl-7-methyl-8-propyl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-one (PubChem CID 70992227) has the molecular formula C23H36O and a molecular weight of 328.54 g/mol. Its IUPAC name is 9-cyclopropyl-7-ethyl-7-methyl-8-propyl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-one.

Molecular Properties

Compound Name9-cyclopropyl-7-ethyl-7-methyl-8-propyl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-one
PubChem CID70992227
Molecular FormulaC23H36O
Molecular Weight328.54 g/mol
Exact Mass328.28
IUPAC Name9-cyclopropyl-7-ethyl-7-methyl-8-propyl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-one
SMILESCCCC1C2C(C3CC3)CC3=CC(=O)CCC3C2CCC1(C)CC
InChIInChI=1S/C23H36O/c1-4-6-21-22-19(11-12-23(21,3)5-2)18-10-9-17(24)13-16(18)14-20(22)15-7-8-15/h13,15,18-22H,4-12,14H2,1-3H3
InChIKeyPVXUWNSDNLFVCH-UHFFFAOYSA-N
XLogP6.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-cyclopropyl-7-ethyl-7-methyl-8-propyl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-one with MolForge

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Related Compounds

(1'R,2'S,3'S,5S,5'S,7'S,10'S,11'R,18'S)-18'-cyclopropyl-7'-ethylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one
CID 58092637
(1R,2S,3R,5S,6S,7S,10S,11R,18R)-18-cyclopropyl-6,7-dimethyl-14-oxopentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene-6-carbonitrile
CID 25126299
3-[(1R,2S,3R,5R,6S,7S,10S,11R,18R)-18-cyclopropyl-7-ethyl-6-hydroxy-14-oxo-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-enyl]propanoic acid
CID 68778250
(5S,7'S,18'S)-18'-cyclopropyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
CID 59612712
(7S,8R,9S,10R,13S,14S,17S)-7-cyclopropyl-13,17-dimethyl-16-methylidene-3-oxo-2,6,7,8,9,10,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
CID 90979259
(7S)-8,9-diethyl-7-(4-methoxybutyl)-7-methyl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-one
CID 70992294
7,18-diethylpentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-en-14-one
CID 70991707
[(Z)-2-[(1R,2S,3S,5S,6R,7S,10S,11R,18R)-18-cyclopropyl-6-hydroxy-7-methyl-14-oxo-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-enyl]ethenyl] hydrogen carbonate
CID 70893491
(7S,8R,9S,10R,13S,14S,17S)-17-amino-7-ethyl-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 70881736
7,7-dimethyl-8-propyl-3,4,4a,4b,5,6,8,8a-octahydrophenanthren-2-one
CID 70915997
(1R,2S,3R,5S,7S,10S,11R,18S)-7-ethyl-6,18-dimethyl-14-oxopentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene-6-carbonitrile
CID 25127597
17-ethyl-17-methyl-2,6,7,8,9,10,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 4041992

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-7-ethyl-7-methyl-8-propyl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-one?
The IUPAC name of 9-cyclopropyl-7-ethyl-7-methyl-8-propyl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-one (CID 70992227) is 9-cyclopropyl-7-ethyl-7-methyl-8-propyl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-one.
What is the SMILES notation for 9-cyclopropyl-7-ethyl-7-methyl-8-propyl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-one?
The canonical SMILES for 9-cyclopropyl-7-ethyl-7-methyl-8-propyl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-one is CCCC1C2C(C3CC3)CC3=CC(=O)CCC3C2CCC1(C)CC.
What is the InChIKey of 9-cyclopropyl-7-ethyl-7-methyl-8-propyl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-one?
The InChIKey is PVXUWNSDNLFVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O/c1-4-6-21-22-19(11-12-23(21,3)5-2)18-10-9-17(24)13-16(18)14-20(22)15-7-8-15/h13,15,18-22H,4-12,14H2,1-3H3.
What are the key properties of 9-cyclopropyl-7-ethyl-7-methyl-8-propyl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-one?
9-cyclopropyl-7-ethyl-7-methyl-8-propyl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-one has a molecular weight of 328.54 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-7-ethyl-7-methyl-8-propyl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-one is sourced from PubChem (CID 70992227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).