17,17-dimethyl-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-3-ol

C19H26O — CID 66806140

IUPAC17,17-dimethyl-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-3-ol
SMILESCC1(C)CCC2C3CCc4cc(O)ccc4C3CCC21
InChIInChI=1S/C19H26O/c1-19(2)10-9-17-16-5-3-12-11-13(20)4-6-14(12)15(16)7-8-18(17)19/h4,6,11,15-18,20H,3,5,7-10H2,1-2H3
InChIKeyNHYRQYPUVHZHPJ-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.88
Rot. Bonds

About 17,17-dimethyl-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-3-ol

17,17-dimethyl-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-3-ol (PubChem CID 66806140) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 17,17-dimethyl-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-3-ol.

Molecular Properties

Compound Name17,17-dimethyl-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-3-ol
PubChem CID66806140
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name17,17-dimethyl-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-3-ol
SMILESCC1(C)CCC2C3CCc4cc(O)ccc4C3CCC21
InChIInChI=1S/C19H26O/c1-19(2)10-9-17-16-5-3-12-11-13(20)4-6-14(12)15(16)7-8-18(17)19/h4,6,11,15-18,20H,3,5,7-10H2,1-2H3
InChIKeyNHYRQYPUVHZHPJ-UHFFFAOYSA-N
XLogP4.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 17,17-dimethyl-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-3-ol with MolForge

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Related Compounds

(8S)-7,7,8-trimethyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol
CID 58697889
(8R,9S,13S,14R,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
CID 54403267
(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
CID 66795326
(8S,9S,13S,14S)-17-hydroxyimino-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol
CID 11873009
(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;hydrochloride
CID 69173401
methane;(13S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
CID 158649246
(1R,2S,4S,6R,7S,10S)-7-methyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),12,14-trien-14-ol
CID 21117643
(8R,9S,13S,14S)-17-(dimethylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
CID 53318183
(8R,9R,13S,14S,17Z)-17-hydrazinylidene-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol
CID 11893684
(8S,9S,13S,14S,17Z)-17-hydrazinylidene-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol
CID 11893682
actinium;13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
CID 22950890
(8S,9S,13S,14R,16R,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
CID 7048596

Frequently Asked Questions

What is the IUPAC name of 17,17-dimethyl-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-3-ol?
The IUPAC name of 17,17-dimethyl-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-3-ol (CID 66806140) is 17,17-dimethyl-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-3-ol.
What is the SMILES notation for 17,17-dimethyl-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-3-ol?
The canonical SMILES for 17,17-dimethyl-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-3-ol is CC1(C)CCC2C3CCc4cc(O)ccc4C3CCC21.
What is the InChIKey of 17,17-dimethyl-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-3-ol?
The InChIKey is NHYRQYPUVHZHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-19(2)10-9-17-16-5-3-12-11-13(20)4-6-14(12)15(16)7-8-18(17)19/h4,6,11,15-18,20H,3,5,7-10H2,1-2H3.
What are the key properties of 17,17-dimethyl-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-3-ol?
17,17-dimethyl-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-3-ol has a molecular weight of 270.42 g/mol, XLogP of 4.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17,17-dimethyl-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 66806140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).