(2R,4bS,8aS,10S)-2-ethenyl-10-hydroxy-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydrophenanthren-1-one

C20H30O2 — CID 10380213

IUPAC(2R,4bS,8aS,10S)-2-ethenyl-10-hydroxy-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydrophenanthren-1-one
SMILESC=C[C@@]1(C)CCC2=C(C1=O)[C@@H](O)C[C@H]1C(C)(C)CCC[C@]21C
InChIInChI=1S/C20H30O2/c1-6-19(4)11-8-13-16(17(19)22)14(21)12-15-18(2,3)9-7-10-20(13,15)5/h6,14-15,21H,1,7-12H2,2-5H3/t14-,15-,19-,20+/m0/s1
InChIKeyQEJQGPXJSLFQMR-HZVDNRATSA-N
MW302.46 g/mol
LogP4.44
Rot. Bonds1

About (2R,4bS,8aS,10S)-2-ethenyl-10-hydroxy-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydrophenanthren-1-one

(2R,4bS,8aS,10S)-2-ethenyl-10-hydroxy-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydrophenanthren-1-one (PubChem CID 10380213) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (2R,4bS,8aS,10S)-2-ethenyl-10-hydroxy-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydrophenanthren-1-one.

Molecular Properties

Compound Name(2R,4bS,8aS,10S)-2-ethenyl-10-hydroxy-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydrophenanthren-1-one
PubChem CID10380213
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(2R,4bS,8aS,10S)-2-ethenyl-10-hydroxy-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydrophenanthren-1-one
SMILESC=C[C@@]1(C)CCC2=C(C1=O)[C@@H](O)C[C@H]1C(C)(C)CCC[C@]21C
InChIInChI=1S/C20H30O2/c1-6-19(4)11-8-13-16(17(19)22)14(21)12-15-18(2,3)9-7-10-20(13,15)5/h6,14-15,21H,1,7-12H2,2-5H3/t14-,15-,19-,20+/m0/s1
InChIKeyQEJQGPXJSLFQMR-HZVDNRATSA-N
XLogP4.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,4bS,8aS,10S)-2-ethenyl-10-hydroxy-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydrophenanthren-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4bS,8aS,10S)-2-ethenyl-10-hydroxy-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydrophenanthren-1-one?
The IUPAC name of (2R,4bS,8aS,10S)-2-ethenyl-10-hydroxy-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydrophenanthren-1-one (CID 10380213) is (2R,4bS,8aS,10S)-2-ethenyl-10-hydroxy-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydrophenanthren-1-one.
What is the SMILES notation for (2R,4bS,8aS,10S)-2-ethenyl-10-hydroxy-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydrophenanthren-1-one?
The canonical SMILES for (2R,4bS,8aS,10S)-2-ethenyl-10-hydroxy-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydrophenanthren-1-one is C=C[C@@]1(C)CCC2=C(C1=O)[C@@H](O)C[C@H]1C(C)(C)CCC[C@]21C.
What is the InChIKey of (2R,4bS,8aS,10S)-2-ethenyl-10-hydroxy-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydrophenanthren-1-one?
The InChIKey is QEJQGPXJSLFQMR-HZVDNRATSA-N. The full InChI is InChI=1S/C20H30O2/c1-6-19(4)11-8-13-16(17(19)22)14(21)12-15-18(2,3)9-7-10-20(13,15)5/h6,14-15,21H,1,7-12H2,2-5H3/t14-,15-,19-,20+/m0/s1.
What are the key properties of (2R,4bS,8aS,10S)-2-ethenyl-10-hydroxy-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydrophenanthren-1-one?
(2R,4bS,8aS,10S)-2-ethenyl-10-hydroxy-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydrophenanthren-1-one has a molecular weight of 302.46 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4bS,8aS,10S)-2-ethenyl-10-hydroxy-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydrophenanthren-1-one is sourced from PubChem (CID 10380213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).