[(1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol

C20H32O — CID 14239481

IUPAC[(1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol
SMILESC=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3[C@](C)(CO)CCC[C@@]23C)C1
InChIInChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,9,15,17,21H,1,6-8,10-14H2,2-4H3/t15-,17+,18-,19-,20-/m0/s1
InChIKeyYSFNIVKHYKBKHI-ZDNSCYFHSA-N
MW288.47 g/mol
LogP5.11
Rot. Bonds2

About [(1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol

[(1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol (PubChem CID 14239481) has the molecular formula C20H32O and a molecular weight of 288.47 g/mol. Its IUPAC name is [(1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol
PubChem CID14239481
Molecular FormulaC20H32O
Molecular Weight288.47 g/mol
Exact Mass288.25
IUPAC Name[(1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol
SMILESC=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3[C@](C)(CO)CCC[C@@]23C)C1
InChIInChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,9,15,17,21H,1,6-8,10-14H2,2-4H3/t15-,17+,18-,19-,20-/m0/s1
InChIKeyYSFNIVKHYKBKHI-ZDNSCYFHSA-N
XLogP5.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.47
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol with MolForge

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Related Compounds

Androstenol
CID 101989
Abietinol
CID 443474
(1R,4aR,4bS,10aR)-1,2,3,4,4a,4b,5,6,7,9,10,10a-Dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenemethanol
CID 21117614
Baruol
CID 25203718
(-)-Drimenol
CID 3080551
1-Phenanthrenemethanol, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a,7-trimethyl-, (1R,4aR,4bS,7S,10aR)-
CID 15586712
Levopimaradienol
CID 443475
Neoabietinol
CID 443476
3beta-12,21-Baccharadien-3-ol
CID 131752934
Camelliol A
CID 6451135
Agathadiol
CID 15558517
(8R)-3beta,8-Dihydroxypolypoda-13E,17E,21-triene
CID 57401582

Frequently Asked Questions

What is the IUPAC name of [(1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol?
The IUPAC name of [(1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol (CID 14239481) is [(1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol.
What is the SMILES notation for [(1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol?
The canonical SMILES for [(1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol is C=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3[C@](C)(CO)CCC[C@@]23C)C1.
What is the InChIKey of [(1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol?
The InChIKey is YSFNIVKHYKBKHI-ZDNSCYFHSA-N. The full InChI is InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,9,15,17,21H,1,6-8,10-14H2,2-4H3/t15-,17+,18-,19-,20-/m0/s1.
What are the key properties of [(1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol?
[(1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol has a molecular weight of 288.47 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol is sourced from PubChem (CID 14239481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).