10,13-dimethyl-17-[(E)-pent-2-en-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione

C24H34O2 — CID 20713612

IUPAC10,13-dimethyl-17-[(E)-pent-2-en-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
SMILESCC/C=C(\C)C1CCC2C3CC(=O)C4=CC(=O)CCC4(C)C3CCC12C
InChIInChI=1S/C24H34O2/c1-5-6-15(2)18-7-8-19-17-14-22(26)21-13-16(25)9-11-24(21,4)20(17)10-12-23(18,19)3/h6,13,17-20H,5,7-12,14H2,1-4H3/b15-6+
InChIKeyYMPWULHYZYHOJK-GIDUJCDVSA-N
MW354.53 g/mol
LogP5.67
Rot. Bonds2

About 10,13-dimethyl-17-[(E)-pent-2-en-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione

10,13-dimethyl-17-[(E)-pent-2-en-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione (PubChem CID 20713612) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is 10,13-dimethyl-17-[(E)-pent-2-en-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione.

Molecular Properties

Compound Name10,13-dimethyl-17-[(E)-pent-2-en-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
PubChem CID20713612
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name10,13-dimethyl-17-[(E)-pent-2-en-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
SMILESCC/C=C(\C)C1CCC2C3CC(=O)C4=CC(=O)CCC4(C)C3CCC12C
InChIInChI=1S/C24H34O2/c1-5-6-15(2)18-7-8-19-17-14-22(26)21-13-16(25)9-11-24(21,4)20(17)10-12-23(18,19)3/h6,13,17-20H,5,7-12,14H2,1-4H3/b15-6+
InChIKeyYMPWULHYZYHOJK-GIDUJCDVSA-N
XLogP5.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10,13-dimethyl-17-[(E)-pent-2-en-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione with MolForge

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Related Compounds

(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(E)-pent-2-en-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 140996512
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3,6-dioxo-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
CID 10925993
10,13-dimethyl-17-propan-2-yl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
CID 76584001
17-acetyl-10,13-dimethyl-1,2,7,8,9,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6,11-trione
CID 3799600
(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(E)-pent-2-en-2-yl]-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 139827346
(8S,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16-trimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
CID 15858957
[2-[6-(dibromomethylidene)-10,13-dimethyl-3-oxo-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
CID 3746601
(10,13-dimethyl-3,6-dioxo-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl) heptanoate
CID 53394661
(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
CID 90435765
(10R,13R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
CID 11743229
(8S,9S,10R,13R,14S,17R)-17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
CID 154790177
(6Z,8S,9S,10R,13S,14S,17S)-17-acetyl-6-(1-aminoethoxymethylidene)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 70182118

Frequently Asked Questions

What is the IUPAC name of 10,13-dimethyl-17-[(E)-pent-2-en-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione?
The IUPAC name of 10,13-dimethyl-17-[(E)-pent-2-en-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione (CID 20713612) is 10,13-dimethyl-17-[(E)-pent-2-en-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione.
What is the SMILES notation for 10,13-dimethyl-17-[(E)-pent-2-en-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione?
The canonical SMILES for 10,13-dimethyl-17-[(E)-pent-2-en-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione is CC/C=C(\C)C1CCC2C3CC(=O)C4=CC(=O)CCC4(C)C3CCC12C.
What is the InChIKey of 10,13-dimethyl-17-[(E)-pent-2-en-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione?
The InChIKey is YMPWULHYZYHOJK-GIDUJCDVSA-N. The full InChI is InChI=1S/C24H34O2/c1-5-6-15(2)18-7-8-19-17-14-22(26)21-13-16(25)9-11-24(21,4)20(17)10-12-23(18,19)3/h6,13,17-20H,5,7-12,14H2,1-4H3/b15-6+.
What are the key properties of 10,13-dimethyl-17-[(E)-pent-2-en-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione?
10,13-dimethyl-17-[(E)-pent-2-en-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione has a molecular weight of 354.53 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,13-dimethyl-17-[(E)-pent-2-en-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione is sourced from PubChem (CID 20713612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).