10-methyl-3-methylidene-2,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-ol

C19H28O — CID 143830194

IUPAC10-methyl-3-methylidene-2,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-ol
SMILESC=C1C=C2CCC3C4CCCC4CC(O)C3C2(C)CC1
InChIInChI=1S/C19H28O/c1-12-8-9-19(2)14(10-12)6-7-16-15-5-3-4-13(15)11-17(20)18(16)19/h10,13,15-18,20H,1,3-9,11H2,2H3
InChIKeyWJORXHXAOKJOTB-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.48
Rot. Bonds

About 10-methyl-3-methylidene-2,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-ol

10-methyl-3-methylidene-2,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-ol (PubChem CID 143830194) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 10-methyl-3-methylidene-2,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-ol.

Molecular Properties

Compound Name10-methyl-3-methylidene-2,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-ol
PubChem CID143830194
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name10-methyl-3-methylidene-2,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-ol
SMILESC=C1C=C2CCC3C4CCCC4CC(O)C3C2(C)CC1
InChIInChI=1S/C19H28O/c1-12-8-9-19(2)14(10-12)6-7-16-15-5-3-4-13(15)11-17(20)18(16)19/h10,13,15-18,20H,1,3-9,11H2,2H3
InChIKeyWJORXHXAOKJOTB-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 10-methyl-3-methylidene-2,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-ol with MolForge

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Related Compounds

(4aR,4bS,5R,8S,8aS)-5,8-dihydroxy-4a-methyl-3,4,4b,5,6,7,8,8a,9,10-decahydrophenanthren-2-one
CID 11900315
ethyl acetate;11-hydroxy-10-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-one
CID 142196562
(10R,13R,17S)-17-ethyl-10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene
CID 162357955
1-(10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)ethanimine
CID 168883605
(8S,9S,10R,11S,13R,14S)-11-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
CID 154194507
17-but-1-en-2-yl-10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene;molecular hydrogen
CID 176925479
(8S,9R,10S,11S,13S,14S)-11-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 141178466
(E)-N-ethoxy-10,13-dimethyl-3-methylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-imine
CID 142417136
1-(10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-N-methylethanamine
CID 168883920
7-ethyl-5-hydroxy-4a,7-dimethyl-8-propyl-4,4b,5,6,8,8a,9,10-octahydro-3H-phenanthren-2-one
CID 143829999
(8S,9S,10R,13S,14R)-10-methyl-1,2,3,6,7,8,9,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
CID 141221987
(8E)-8-ethylidene-9,12,13-trimethyl-7,16-dimethylidenetricyclo[11.4.0.05,9]heptadec-1(17)-ene
CID 142920022

Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-methylidene-2,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-ol?
The IUPAC name of 10-methyl-3-methylidene-2,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-ol (CID 143830194) is 10-methyl-3-methylidene-2,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-ol.
What is the SMILES notation for 10-methyl-3-methylidene-2,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-ol?
The canonical SMILES for 10-methyl-3-methylidene-2,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-ol is C=C1C=C2CCC3C4CCCC4CC(O)C3C2(C)CC1.
What is the InChIKey of 10-methyl-3-methylidene-2,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-ol?
The InChIKey is WJORXHXAOKJOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-12-8-9-19(2)14(10-12)6-7-16-15-5-3-4-13(15)11-17(20)18(16)19/h10,13,15-18,20H,1,3-9,11H2,2H3.
What are the key properties of 10-methyl-3-methylidene-2,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-ol?
10-methyl-3-methylidene-2,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-ol has a molecular weight of 272.43 g/mol, XLogP of 4.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-methylidene-2,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-ol is sourced from PubChem (CID 143830194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).