2,3a-dimethyl-1,2,4,5,9,10,10a,11,11a,11b-decahydrocyclopenta[a]anthracene-3,8-dione

C19H24O2 — CID 67931981

IUPAC2,3a-dimethyl-1,2,4,5,9,10,10a,11,11a,11b-decahydrocyclopenta[a]anthracene-3,8-dione
SMILESCC1CC2C3CC4CCC(=O)C=C4C=C3CCC2(C)C1=O
InChIInChI=1S/C19H24O2/c1-11-7-17-16-10-12-3-4-15(20)9-14(12)8-13(16)5-6-19(17,2)18(11)21/h8-9,11-12,16-17H,3-7,10H2,1-2H3
InChIKeyXZIYOMNBIAXQSJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.86
Rot. Bonds

About 2,3a-dimethyl-1,2,4,5,9,10,10a,11,11a,11b-decahydrocyclopenta[a]anthracene-3,8-dione

2,3a-dimethyl-1,2,4,5,9,10,10a,11,11a,11b-decahydrocyclopenta[a]anthracene-3,8-dione (PubChem CID 67931981) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2,3a-dimethyl-1,2,4,5,9,10,10a,11,11a,11b-decahydrocyclopenta[a]anthracene-3,8-dione.

Molecular Properties

Compound Name2,3a-dimethyl-1,2,4,5,9,10,10a,11,11a,11b-decahydrocyclopenta[a]anthracene-3,8-dione
PubChem CID67931981
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name2,3a-dimethyl-1,2,4,5,9,10,10a,11,11a,11b-decahydrocyclopenta[a]anthracene-3,8-dione
SMILESCC1CC2C3CC4CCC(=O)C=C4C=C3CCC2(C)C1=O
InChIInChI=1S/C19H24O2/c1-11-7-17-16-10-12-3-4-15(20)9-14(12)8-13(16)5-6-19(17,2)18(11)21/h8-9,11-12,16-17H,3-7,10H2,1-2H3
InChIKeyXZIYOMNBIAXQSJ-UHFFFAOYSA-N
XLogP3.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3a-dimethyl-1,2,4,5,9,10,10a,11,11a,11b-decahydrocyclopenta[a]anthracene-3,8-dione with MolForge

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Related Compounds

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CID 19835402
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CID 18635341
7-methoxy-5,5-dimethyl-3,4,4a,6,10,10a-hexahydroanthracen-2-one
CID 100952888
(1R,8R,9S,10R,13S,14S,16S)-1-hydroxy-10,13,16-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 70407852
(4aS,4bS,8aS)-8a-methyl-3,4,4a,4b,5,6,7,8,9,10-decahydrophenanthren-2-one
CID 134905384
(3aS,9aS,9bS)-3a-ethyl-1,2,4,5,8,9,9a,9b-octahydrocyclopenta[a]naphthalene-3,7-dione
CID 10443950
(8S,10R,13S,14S,16S)-3-methoxy-10,13,16-trimethyl-1,2,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-one
CID 13319641
(8R,9R,10R,13S,14R)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
CID 6545378
(8S,9R,10S,13R,14R)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
CID 7213685
(2S,8R,9S,10R,13S,14S,16R)-2,6,10,13,16-pentamethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 54385750
(10R,13S)-13-methyl-17-methylidene-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
CID 54181393
(1R,3S,13S)-1,3,13,16-tetramethyl-2,3,4,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
CID 58756548

Frequently Asked Questions

What is the IUPAC name of 2,3a-dimethyl-1,2,4,5,9,10,10a,11,11a,11b-decahydrocyclopenta[a]anthracene-3,8-dione?
The IUPAC name of 2,3a-dimethyl-1,2,4,5,9,10,10a,11,11a,11b-decahydrocyclopenta[a]anthracene-3,8-dione (CID 67931981) is 2,3a-dimethyl-1,2,4,5,9,10,10a,11,11a,11b-decahydrocyclopenta[a]anthracene-3,8-dione.
What is the SMILES notation for 2,3a-dimethyl-1,2,4,5,9,10,10a,11,11a,11b-decahydrocyclopenta[a]anthracene-3,8-dione?
The canonical SMILES for 2,3a-dimethyl-1,2,4,5,9,10,10a,11,11a,11b-decahydrocyclopenta[a]anthracene-3,8-dione is CC1CC2C3CC4CCC(=O)C=C4C=C3CCC2(C)C1=O.
What is the InChIKey of 2,3a-dimethyl-1,2,4,5,9,10,10a,11,11a,11b-decahydrocyclopenta[a]anthracene-3,8-dione?
The InChIKey is XZIYOMNBIAXQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-11-7-17-16-10-12-3-4-15(20)9-14(12)8-13(16)5-6-19(17,2)18(11)21/h8-9,11-12,16-17H,3-7,10H2,1-2H3.
What are the key properties of 2,3a-dimethyl-1,2,4,5,9,10,10a,11,11a,11b-decahydrocyclopenta[a]anthracene-3,8-dione?
2,3a-dimethyl-1,2,4,5,9,10,10a,11,11a,11b-decahydrocyclopenta[a]anthracene-3,8-dione has a molecular weight of 284.40 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3a-dimethyl-1,2,4,5,9,10,10a,11,11a,11b-decahydrocyclopenta[a]anthracene-3,8-dione is sourced from PubChem (CID 67931981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).