13-methyl-17-pent-1-en-2-yl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol

C23H30O — CID 18459206

IUPAC13-methyl-17-pent-1-en-2-yl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol
SMILESC=C(CCC)C1CCC2C3=CCc4cc(O)ccc4C3CCC12C
InChIInChI=1S/C23H30O/c1-4-5-15(2)21-10-11-22-20-8-6-16-14-17(24)7-9-18(16)19(20)12-13-23(21,22)3/h7-9,14,19,21-22,24H,2,4-6,10-13H2,1,3H3
InChIKeyUGNLIADVNZKKNZ-UHFFFAOYSA-N
MW322.49 g/mol
LogP6.14
Rot. Bonds3

About 13-methyl-17-pent-1-en-2-yl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol

13-methyl-17-pent-1-en-2-yl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol (PubChem CID 18459206) has the molecular formula C23H30O and a molecular weight of 322.49 g/mol. Its IUPAC name is 13-methyl-17-pent-1-en-2-yl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol.

Molecular Properties

Compound Name13-methyl-17-pent-1-en-2-yl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol
PubChem CID18459206
Molecular FormulaC23H30O
Molecular Weight322.49 g/mol
Exact Mass322.23
IUPAC Name13-methyl-17-pent-1-en-2-yl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol
SMILESC=C(CCC)C1CCC2C3=CCc4cc(O)ccc4C3CCC12C
InChIInChI=1S/C23H30O/c1-4-5-15(2)21-10-11-22-20-8-6-16-14-17(24)7-9-18(16)19(20)12-13-23(21,22)3/h7-9,14,19,21-22,24H,2,4-6,10-13H2,1,3H3
InChIKeyUGNLIADVNZKKNZ-UHFFFAOYSA-N
XLogP6.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 13-methyl-17-pent-1-en-2-yl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol with MolForge

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Related Compounds

(9S,13S,14S,16R,17R)-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,16,17-triol
CID 11346702
(17Z)-17-butylidene-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-ol
CID 22958151
(9S,13S,14S)-17-ethylidene-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-ol
CID 54336672
(13S,17Z)-17-ethylidene-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-ol
CID 59958329
(9S,13S,14S)-17-but-2-ynyl-13-methyl-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthren-3-ol
CID 91371013
(9S,13S,14S,17R)-3-methoxy-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol
CID 22789968
17-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-ol
CID 22950899
bis((9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one);bis((8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one)
CID 173299598
sodium (17R)-13-methyl-3-oxidoperoxysulfanyloxy-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol
CID 59776780
(8R,9R,13S,14S,17S)-8-ethyl-13-methyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 15692389
(9'S,13'S,14'S)-3'-methoxy-13'-methylspiro[1,3-dioxolane-2,17'-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthrene]
CID 59913824
5-ethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22998647

Frequently Asked Questions

What is the IUPAC name of 13-methyl-17-pent-1-en-2-yl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol?
The IUPAC name of 13-methyl-17-pent-1-en-2-yl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol (CID 18459206) is 13-methyl-17-pent-1-en-2-yl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol.
What is the SMILES notation for 13-methyl-17-pent-1-en-2-yl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol?
The canonical SMILES for 13-methyl-17-pent-1-en-2-yl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol is C=C(CCC)C1CCC2C3=CCc4cc(O)ccc4C3CCC12C.
What is the InChIKey of 13-methyl-17-pent-1-en-2-yl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol?
The InChIKey is UGNLIADVNZKKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O/c1-4-5-15(2)21-10-11-22-20-8-6-16-14-17(24)7-9-18(16)19(20)12-13-23(21,22)3/h7-9,14,19,21-22,24H,2,4-6,10-13H2,1,3H3.
What are the key properties of 13-methyl-17-pent-1-en-2-yl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol?
13-methyl-17-pent-1-en-2-yl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol has a molecular weight of 322.49 g/mol, XLogP of 6.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-17-pent-1-en-2-yl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 18459206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).