(2S,4bR,8R)-2-ethenyl-2,4b,8-trimethyl-8-pentyl-3,5,6,7,8a,9,10,10a-octahydro-1H-phenanthrene

C24H40 — CID 59076768

IUPAC(2S,4bR,8R)-2-ethenyl-2,4b,8-trimethyl-8-pentyl-3,5,6,7,8a,9,10,10a-octahydro-1H-phenanthrene
SMILESC=C[C@@]1(C)CC=C2C(CCC3[C@](C)(CCCCC)CCC[C@@]23C)C1
InChIInChI=1S/C24H40/c1-6-8-9-14-23(4)15-10-16-24(5)20-13-17-22(3,7-2)18-19(20)11-12-21(23)24/h7,13,19,21H,2,6,8-12,14-18H2,1,3-5H3/t19?,21?,22-,23+,24-/m0/s1
InChIKeyAENBIHMJNVLNJD-DCWCHOGQSA-N
MW328.58 g/mol
LogP7.70
Rot. Bonds5

About (2S,4bR,8R)-2-ethenyl-2,4b,8-trimethyl-8-pentyl-3,5,6,7,8a,9,10,10a-octahydro-1H-phenanthrene

(2S,4bR,8R)-2-ethenyl-2,4b,8-trimethyl-8-pentyl-3,5,6,7,8a,9,10,10a-octahydro-1H-phenanthrene (PubChem CID 59076768) has the molecular formula C24H40 and a molecular weight of 328.58 g/mol. Its IUPAC name is (2S,4bR,8R)-2-ethenyl-2,4b,8-trimethyl-8-pentyl-3,5,6,7,8a,9,10,10a-octahydro-1H-phenanthrene.

Molecular Properties

Compound Name(2S,4bR,8R)-2-ethenyl-2,4b,8-trimethyl-8-pentyl-3,5,6,7,8a,9,10,10a-octahydro-1H-phenanthrene
PubChem CID59076768
Molecular FormulaC24H40
Molecular Weight328.58 g/mol
Exact Mass328.31
IUPAC Name(2S,4bR,8R)-2-ethenyl-2,4b,8-trimethyl-8-pentyl-3,5,6,7,8a,9,10,10a-octahydro-1H-phenanthrene
SMILESC=C[C@@]1(C)CC=C2C(CCC3[C@](C)(CCCCC)CCC[C@@]23C)C1
InChIInChI=1S/C24H40/c1-6-8-9-14-23(4)15-10-16-24(5)20-13-17-22(3,7-2)18-19(20)11-12-21(23)24/h7,13,19,21H,2,6,8-12,14-18H2,1,3-5H3/t19?,21?,22-,23+,24-/m0/s1
InChIKeyAENBIHMJNVLNJD-DCWCHOGQSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.58
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2S,4bR,8R)-2-ethenyl-2,4b,8-trimethyl-8-pentyl-3,5,6,7,8a,9,10,10a-octahydro-1H-phenanthrene with MolForge

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

Launch Full Analysis

Related Compounds

[(1S,4aS,7R)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol
CID 66636865
1-(7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl)propan-1-one
CID 143402297
[(1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methyl methanesulfonate
CID 58330092
3-[[(1S,4aS,7S,8aS,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methoxy]-3-oxopropanoic acid
CID 162998104
1-[(1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]but-2-en-1-ol
CID 90886051
1-[(1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]but-2-en-1-one
CID 90833740
1-(7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl)propan-1-one;ethylcyclohexane
CID 143402296
(4aR,7S,8aS,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,6,8,8a,9,10,10a-octahydrophenanthren-2-one
CID 101438013
[(4aR,7S)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methyl 2-(4-acetylpiperazin-1-yl)acetate
CID 143402313
4-[[(1R,4aR,7S)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methoxysulfonyl]benzoic acid
CID 88916031
(1R,4aR,7S,8aS,10aS)-N-(1-adamantylmethyl)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxamide
CID 44559244
(2S)-2-[[(1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carbonyl]amino]butanedioic acid
CID 58330157

Frequently Asked Questions

What is the IUPAC name of (2S,4bR,8R)-2-ethenyl-2,4b,8-trimethyl-8-pentyl-3,5,6,7,8a,9,10,10a-octahydro-1H-phenanthrene?
The IUPAC name of (2S,4bR,8R)-2-ethenyl-2,4b,8-trimethyl-8-pentyl-3,5,6,7,8a,9,10,10a-octahydro-1H-phenanthrene (CID 59076768) is (2S,4bR,8R)-2-ethenyl-2,4b,8-trimethyl-8-pentyl-3,5,6,7,8a,9,10,10a-octahydro-1H-phenanthrene.
What is the SMILES notation for (2S,4bR,8R)-2-ethenyl-2,4b,8-trimethyl-8-pentyl-3,5,6,7,8a,9,10,10a-octahydro-1H-phenanthrene?
The canonical SMILES for (2S,4bR,8R)-2-ethenyl-2,4b,8-trimethyl-8-pentyl-3,5,6,7,8a,9,10,10a-octahydro-1H-phenanthrene is C=C[C@@]1(C)CC=C2C(CCC3[C@](C)(CCCCC)CCC[C@@]23C)C1.
What is the InChIKey of (2S,4bR,8R)-2-ethenyl-2,4b,8-trimethyl-8-pentyl-3,5,6,7,8a,9,10,10a-octahydro-1H-phenanthrene?
The InChIKey is AENBIHMJNVLNJD-DCWCHOGQSA-N. The full InChI is InChI=1S/C24H40/c1-6-8-9-14-23(4)15-10-16-24(5)20-13-17-22(3,7-2)18-19(20)11-12-21(23)24/h7,13,19,21H,2,6,8-12,14-18H2,1,3-5H3/t19?,21?,22-,23+,24-/m0/s1.
What are the key properties of (2S,4bR,8R)-2-ethenyl-2,4b,8-trimethyl-8-pentyl-3,5,6,7,8a,9,10,10a-octahydro-1H-phenanthrene?
(2S,4bR,8R)-2-ethenyl-2,4b,8-trimethyl-8-pentyl-3,5,6,7,8a,9,10,10a-octahydro-1H-phenanthrene has a molecular weight of 328.58 g/mol, XLogP of 7.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4bR,8R)-2-ethenyl-2,4b,8-trimethyl-8-pentyl-3,5,6,7,8a,9,10,10a-octahydro-1H-phenanthrene is sourced from PubChem (CID 59076768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).