(3aS,9bR)-6,8-dimethyl-1,2,3,3a,4,9b-hexahydrocyclopenta[a]naphthalen-5-one

C15H18O — CID 11378895

IUPAC(3aS,9bR)-6,8-dimethyl-1,2,3,3a,4,9b-hexahydrocyclopenta[a]naphthalen-5-one
SMILESCc1cc(C)c2c(c1)[C@@H]1CCC[C@H]1CC2=O
InChIInChI=1S/C15H18O/c1-9-6-10(2)15-13(7-9)12-5-3-4-11(12)8-14(15)16/h6-7,11-12H,3-5,8H2,1-2H3/t11-,12+/m0/s1
InChIKeyWCQLRPFEOHXTSL-NWDGAFQWSA-N
MW214.31 g/mol
LogP3.77
Rot. Bonds

About (3aS,9bR)-6,8-dimethyl-1,2,3,3a,4,9b-hexahydrocyclopenta[a]naphthalen-5-one

(3aS,9bR)-6,8-dimethyl-1,2,3,3a,4,9b-hexahydrocyclopenta[a]naphthalen-5-one (PubChem CID 11378895) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (3aS,9bR)-6,8-dimethyl-1,2,3,3a,4,9b-hexahydrocyclopenta[a]naphthalen-5-one.

Molecular Properties

Compound Name(3aS,9bR)-6,8-dimethyl-1,2,3,3a,4,9b-hexahydrocyclopenta[a]naphthalen-5-one
PubChem CID11378895
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(3aS,9bR)-6,8-dimethyl-1,2,3,3a,4,9b-hexahydrocyclopenta[a]naphthalen-5-one
SMILESCc1cc(C)c2c(c1)[C@@H]1CCC[C@H]1CC2=O
InChIInChI=1S/C15H18O/c1-9-6-10(2)15-13(7-9)12-5-3-4-11(12)8-14(15)16/h6-7,11-12H,3-5,8H2,1-2H3/t11-,12+/m0/s1
InChIKeyWCQLRPFEOHXTSL-NWDGAFQWSA-N
XLogP3.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3aS,9bR)-6,8-dimethyl-1,2,3,3a,4,9b-hexahydrocyclopenta[a]naphthalen-5-one with MolForge

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Related Compounds

(4aS,10bS)-2,7,9-trimethyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one
CID 54288118
8-methoxy-1,2,3,3a,4,9b-hexahydrocyclopenta[a]naphthalen-5-one
CID 66652045
(3aS,9bR)-6,8-dimethyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]isoquinolin-5-one
CID 11586894
6a,7,8,9,10,10a-hexahydro-6H-chrysen-5-one
CID 91491967
1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane
CID 91488349
2,7-dimethyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one
CID 18361946
(3aS,9bS)-8-[1-(3-fluorophenyl)propoxy]-6-hydroxy-1,2,3,3a,4,9b-hexahydrocyclopenta[a]naphthalen-5-one
CID 56623437
5,7-dimethyl-2-phenyl-2,3-dihydrochromen-4-one
CID 10015092
2-(2-bromo-4,6-dimethylphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 113361264
2-(2,4-dimethylphenyl)imino-3a,4,5,6,7,7a-hexahydroindene-1,3-dione
CID 52974084
2-(2-chloro-4,6-dimethylphenyl)-3-hydroxy-4,6,7,7a-tetrahydro-3aH-indene-1,5-dione
CID 18521396
4-(2,4,6-trimethylphenyl)azetidin-2-one
CID 64664712

Frequently Asked Questions

What is the IUPAC name of (3aS,9bR)-6,8-dimethyl-1,2,3,3a,4,9b-hexahydrocyclopenta[a]naphthalen-5-one?
The IUPAC name of (3aS,9bR)-6,8-dimethyl-1,2,3,3a,4,9b-hexahydrocyclopenta[a]naphthalen-5-one (CID 11378895) is (3aS,9bR)-6,8-dimethyl-1,2,3,3a,4,9b-hexahydrocyclopenta[a]naphthalen-5-one.
What is the SMILES notation for (3aS,9bR)-6,8-dimethyl-1,2,3,3a,4,9b-hexahydrocyclopenta[a]naphthalen-5-one?
The canonical SMILES for (3aS,9bR)-6,8-dimethyl-1,2,3,3a,4,9b-hexahydrocyclopenta[a]naphthalen-5-one is Cc1cc(C)c2c(c1)[C@@H]1CCC[C@H]1CC2=O.
What is the InChIKey of (3aS,9bR)-6,8-dimethyl-1,2,3,3a,4,9b-hexahydrocyclopenta[a]naphthalen-5-one?
The InChIKey is WCQLRPFEOHXTSL-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H18O/c1-9-6-10(2)15-13(7-9)12-5-3-4-11(12)8-14(15)16/h6-7,11-12H,3-5,8H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (3aS,9bR)-6,8-dimethyl-1,2,3,3a,4,9b-hexahydrocyclopenta[a]naphthalen-5-one?
(3aS,9bR)-6,8-dimethyl-1,2,3,3a,4,9b-hexahydrocyclopenta[a]naphthalen-5-one has a molecular weight of 214.31 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,9bR)-6,8-dimethyl-1,2,3,3a,4,9b-hexahydrocyclopenta[a]naphthalen-5-one is sourced from PubChem (CID 11378895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).