(2S,7S,14R)-14-hydroxy-2,11-dimethyltricyclo[8.7.0.02,7]heptadecan-5-one

C19H32O2 — CID 134233217

IUPAC(2S,7S,14R)-14-hydroxy-2,11-dimethyltricyclo[8.7.0.02,7]heptadecan-5-one
SMILESCC1CC[C@H](O)CCCC2C1CC[C@H]1CC(=O)CC[C@]21C
InChIInChI=1S/C19H32O2/c1-13-6-8-15(20)4-3-5-18-17(13)9-7-14-12-16(21)10-11-19(14,18)2/h13-15,17-18,20H,3-12H2,1-2H3/t13?,14-,15+,17?,18?,19-/m0/s1
InChIKeyKFWKNJMTWFLUFK-GVMNTVLNSA-N
MW292.46 g/mol
LogP4.35
Rot. Bonds

About (2S,7S,14R)-14-hydroxy-2,11-dimethyltricyclo[8.7.0.02,7]heptadecan-5-one

(2S,7S,14R)-14-hydroxy-2,11-dimethyltricyclo[8.7.0.02,7]heptadecan-5-one (PubChem CID 134233217) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is (2S,7S,14R)-14-hydroxy-2,11-dimethyltricyclo[8.7.0.02,7]heptadecan-5-one.

Molecular Properties

Compound Name(2S,7S,14R)-14-hydroxy-2,11-dimethyltricyclo[8.7.0.02,7]heptadecan-5-one
PubChem CID134233217
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name(2S,7S,14R)-14-hydroxy-2,11-dimethyltricyclo[8.7.0.02,7]heptadecan-5-one
SMILESCC1CC[C@H](O)CCCC2C1CC[C@H]1CC(=O)CC[C@]21C
InChIInChI=1S/C19H32O2/c1-13-6-8-15(20)4-3-5-18-17(13)9-7-14-12-16(21)10-11-19(14,18)2/h13-15,17-18,20H,3-12H2,1-2H3/t13?,14-,15+,17?,18?,19-/m0/s1
InChIKeyKFWKNJMTWFLUFK-GVMNTVLNSA-N
XLogP4.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,7S,14R)-14-hydroxy-2,11-dimethyltricyclo[8.7.0.02,7]heptadecan-5-one with MolForge

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Related Compounds

(4aS,4bS,6aS,7S,8R,10aS,10bR,12aS)-7-hydroxy-4a,6a,8-trimethyl-3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-chrysen-2-one
CID 162902365
(5S,8S,9S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 162854572
(8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 102306281
(5R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 68553808
(5S,8R,9S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
CID 15850902
(9S,10S,13S,14S)-17-hydroxy-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 126500825
(8R,9R,10S,13S,14S)-16-fluoro-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 67024951
(5S,8S,9S,10S,11R,13S,14S)-11-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 162941181
(8R,9R,10S,13S,14S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 91161957
(8R,9S,10S,13S,14S,17S)-17-acetyl-10,13,15-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 154083108
(8R,9S,10S,13S,14S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 71309683
10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 443

Frequently Asked Questions

What is the IUPAC name of (2S,7S,14R)-14-hydroxy-2,11-dimethyltricyclo[8.7.0.02,7]heptadecan-5-one?
The IUPAC name of (2S,7S,14R)-14-hydroxy-2,11-dimethyltricyclo[8.7.0.02,7]heptadecan-5-one (CID 134233217) is (2S,7S,14R)-14-hydroxy-2,11-dimethyltricyclo[8.7.0.02,7]heptadecan-5-one.
What is the SMILES notation for (2S,7S,14R)-14-hydroxy-2,11-dimethyltricyclo[8.7.0.02,7]heptadecan-5-one?
The canonical SMILES for (2S,7S,14R)-14-hydroxy-2,11-dimethyltricyclo[8.7.0.02,7]heptadecan-5-one is CC1CC[C@H](O)CCCC2C1CC[C@H]1CC(=O)CC[C@]21C.
What is the InChIKey of (2S,7S,14R)-14-hydroxy-2,11-dimethyltricyclo[8.7.0.02,7]heptadecan-5-one?
The InChIKey is KFWKNJMTWFLUFK-GVMNTVLNSA-N. The full InChI is InChI=1S/C19H32O2/c1-13-6-8-15(20)4-3-5-18-17(13)9-7-14-12-16(21)10-11-19(14,18)2/h13-15,17-18,20H,3-12H2,1-2H3/t13?,14-,15+,17?,18?,19-/m0/s1.
What are the key properties of (2S,7S,14R)-14-hydroxy-2,11-dimethyltricyclo[8.7.0.02,7]heptadecan-5-one?
(2S,7S,14R)-14-hydroxy-2,11-dimethyltricyclo[8.7.0.02,7]heptadecan-5-one has a molecular weight of 292.46 g/mol, XLogP of 4.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,7S,14R)-14-hydroxy-2,11-dimethyltricyclo[8.7.0.02,7]heptadecan-5-one is sourced from PubChem (CID 134233217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).