10,13-dimethyl-1,2,4,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione

C19H24O3 — CID 18978440

IUPAC10,13-dimethyl-1,2,4,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione
SMILESCC12CC(=O)C3C(CC=C4CC(=O)CCC43C)C1CCC2=O
InChIInChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h3,13-14,17H,4-10H2,1-2H3
InChIKeyKIEUSUVLMCIWSA-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.27
Rot. Bonds

About 10,13-dimethyl-1,2,4,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione

10,13-dimethyl-1,2,4,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione (PubChem CID 18978440) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 10,13-dimethyl-1,2,4,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione.

Molecular Properties

Compound Name10,13-dimethyl-1,2,4,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione
PubChem CID18978440
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name10,13-dimethyl-1,2,4,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione
SMILESCC12CC(=O)C3C(CC=C4CC(=O)CCC43C)C1CCC2=O
InChIInChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h3,13-14,17H,4-10H2,1-2H3
InChIKeyKIEUSUVLMCIWSA-UHFFFAOYSA-N
XLogP3.27
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10,13-dimethyl-1,2,4,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione with MolForge

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Related Compounds

[(3S,8R,9R,10R,13R,14R)-10,13-dimethyl-11,17-dioxo-2,3,4,7,8,9,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CID 124915026
6,9a,11a-trimethyl-3,3a,3b,4,8,9,9b,11-octahydro-2H-indeno[5,4-f]quinoline-1,7,10-trione
CID 129193798
(8S,9S,10R,13S,14S)-4,4-difluoro-10,13-dimethyl-2,7,8,9,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,11,17-trione
CID 154174753
(8R,9S,10R,13S,14R)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione
CID 721865
(10R,13S)-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 134212723
(8S,9S,10R,13S,14S)-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 10778605
2-[(8R,9R,10S,13S,14S)-13-methyl-3,17-dioxo-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-10-yl]acetonitrile
CID 57211179
(3aS,3bR,9aR,9bR,11aS)-9a,11a-dimethyl-3,3a,3b,4,6,8,9,9b,10,11-decahydro-2H-naphtho[2,1-e][1]benzofuran-7-one
CID 57079013
(1R,8R,9S,10S,13S,14S)-10-(hydroxymethyl)-1,13-dimethyl-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 70606520
17-acetyl-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
CID 90949496
(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2S)-oxiran-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 102011611
(3S,8S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 23968375

Frequently Asked Questions

What is the IUPAC name of 10,13-dimethyl-1,2,4,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione?
The IUPAC name of 10,13-dimethyl-1,2,4,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione (CID 18978440) is 10,13-dimethyl-1,2,4,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione.
What is the SMILES notation for 10,13-dimethyl-1,2,4,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione?
The canonical SMILES for 10,13-dimethyl-1,2,4,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione is CC12CC(=O)C3C(CC=C4CC(=O)CCC43C)C1CCC2=O.
What is the InChIKey of 10,13-dimethyl-1,2,4,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione?
The InChIKey is KIEUSUVLMCIWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h3,13-14,17H,4-10H2,1-2H3.
What are the key properties of 10,13-dimethyl-1,2,4,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione?
10,13-dimethyl-1,2,4,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione has a molecular weight of 300.40 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,13-dimethyl-1,2,4,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione is sourced from PubChem (CID 18978440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).