9,10,13-trimethyl-1,2,4,5,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione

C20H28O2 — CID 21365009

IUPAC9,10,13-trimethyl-1,2,4,5,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
SMILESCC12CCC3(C)C(C=CC4CC(=O)CCC43C)C1CCC2=O
InChIInChI=1S/C20H28O2/c1-18-10-11-20(3)16(15(18)6-7-17(18)22)5-4-13-12-14(21)8-9-19(13,20)2/h4-5,13,15-16H,6-12H2,1-3H3
InChIKeyDHOPFPRKCNWUER-UHFFFAOYSA-N
MW300.44 g/mol
LogP4.33
Rot. Bonds

About 9,10,13-trimethyl-1,2,4,5,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione

9,10,13-trimethyl-1,2,4,5,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione (PubChem CID 21365009) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is 9,10,13-trimethyl-1,2,4,5,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione.

Molecular Properties

Compound Name9,10,13-trimethyl-1,2,4,5,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
PubChem CID21365009
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name9,10,13-trimethyl-1,2,4,5,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
SMILESCC12CCC3(C)C(C=CC4CC(=O)CCC43C)C1CCC2=O
InChIInChI=1S/C20H28O2/c1-18-10-11-20(3)16(15(18)6-7-17(18)22)5-4-13-12-14(21)8-9-19(13,20)2/h4-5,13,15-16H,6-12H2,1-3H3
InChIKeyDHOPFPRKCNWUER-UHFFFAOYSA-N
XLogP4.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9,10,13-trimethyl-1,2,4,5,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione with MolForge

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Related Compounds

(5R,8S,9S,10R,13S)-10-fluoro-9,13-dimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
CID 155395403
(5R,6S,8R,9S,10R,13S,14S)-6-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 22296021
(8R,9S,10S,13S,14S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 71309683
10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 443
5,10,13-trimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
CID 2748270
(5R,8R,9R,10S,13S,14R)-10,13-dimethyl-1,2,4,5,6,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,7,17-trione
CID 11868604
(8R,9S,10S,13S,14S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione;hydrate
CID 140970819
(1S,2S,7S,10S,11S,15S,17S)-2,15-dimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadecane-5,14-dione
CID 11500437
(8R,9R,10R,13S,14S)-5-hydroxy-10,13-dimethyl-6-methylidene-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 67535468
(8R,9S,10R,13S,14S)-10,13-dimethyl-6-methylidene-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
CID 67536381
(8S,10S,13S,14S)-10,13-dimethyl-2,4,5,6,7,8,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 66657091
(8R,9R,10S,13S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione
CID 145130066

Frequently Asked Questions

What is the IUPAC name of 9,10,13-trimethyl-1,2,4,5,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione?
The IUPAC name of 9,10,13-trimethyl-1,2,4,5,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione (CID 21365009) is 9,10,13-trimethyl-1,2,4,5,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione.
What is the SMILES notation for 9,10,13-trimethyl-1,2,4,5,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione?
The canonical SMILES for 9,10,13-trimethyl-1,2,4,5,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione is CC12CCC3(C)C(C=CC4CC(=O)CCC43C)C1CCC2=O.
What is the InChIKey of 9,10,13-trimethyl-1,2,4,5,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione?
The InChIKey is DHOPFPRKCNWUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O2/c1-18-10-11-20(3)16(15(18)6-7-17(18)22)5-4-13-12-14(21)8-9-19(13,20)2/h4-5,13,15-16H,6-12H2,1-3H3.
What are the key properties of 9,10,13-trimethyl-1,2,4,5,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione?
9,10,13-trimethyl-1,2,4,5,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione has a molecular weight of 300.44 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10,13-trimethyl-1,2,4,5,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione is sourced from PubChem (CID 21365009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).