(8R,9S,10S,13S,14S,17S)-1-methylidene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol

C18H26O — CID 68856676

IUPAC(8R,9S,10S,13S,14S,17S)-1-methylidene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol
SMILESC=C1CCC=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@H]4CC[C@@H]3[C@@H]12
InChIInChI=1S/C18H26O/c1-11-3-2-4-12-5-6-14-13-9-10-17(19)15(13)7-8-16(14)18(11)12/h4,13-19H,1-3,5-10H2/t13-,14-,15-,16-,17-,18-/m0/s1
InChIKeyBBQQQGJSRCAWGJ-QQCJEOGWSA-N
MW258.40 g/mol
LogP4.09
Rot. Bonds

About (8R,9S,10S,13S,14S,17S)-1-methylidene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol

(8R,9S,10S,13S,14S,17S)-1-methylidene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol (PubChem CID 68856676) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is (8R,9S,10S,13S,14S,17S)-1-methylidene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol.

Molecular Properties

Compound Name(8R,9S,10S,13S,14S,17S)-1-methylidene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol
PubChem CID68856676
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name(8R,9S,10S,13S,14S,17S)-1-methylidene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol
SMILESC=C1CCC=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@H]4CC[C@@H]3[C@@H]12
InChIInChI=1S/C18H26O/c1-11-3-2-4-12-5-6-14-13-9-10-17(19)15(13)7-8-16(14)18(11)12/h4,13-19H,1-3,5-10H2/t13-,14-,15-,16-,17-,18-/m0/s1
InChIKeyBBQQQGJSRCAWGJ-QQCJEOGWSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (8R,9S,10S,13S,14S,17S)-1-methylidene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8R,9S,10S,13S,14S,17S)-1-methylidene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol?
The IUPAC name of (8R,9S,10S,13S,14S,17S)-1-methylidene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol (CID 68856676) is (8R,9S,10S,13S,14S,17S)-1-methylidene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol.
What is the SMILES notation for (8R,9S,10S,13S,14S,17S)-1-methylidene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol?
The canonical SMILES for (8R,9S,10S,13S,14S,17S)-1-methylidene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol is C=C1CCC=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@H]4CC[C@@H]3[C@@H]12.
What is the InChIKey of (8R,9S,10S,13S,14S,17S)-1-methylidene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol?
The InChIKey is BBQQQGJSRCAWGJ-QQCJEOGWSA-N. The full InChI is InChI=1S/C18H26O/c1-11-3-2-4-12-5-6-14-13-9-10-17(19)15(13)7-8-16(14)18(11)12/h4,13-19H,1-3,5-10H2/t13-,14-,15-,16-,17-,18-/m0/s1.
What are the key properties of (8R,9S,10S,13S,14S,17S)-1-methylidene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol?
(8R,9S,10S,13S,14S,17S)-1-methylidene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol has a molecular weight of 258.40 g/mol, XLogP of 4.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9S,10S,13S,14S,17S)-1-methylidene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol is sourced from PubChem (CID 68856676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).