8-methyl-8-(1-methylcyclononyl)-6,7,9,10,10a,11-hexahydro-5aH-cyclohepta[b]naphthalen-5-one

C26H38O — CID 90983152

IUPAC8-methyl-8-(1-methylcyclononyl)-6,7,9,10,10a,11-hexahydro-5aH-cyclohepta[b]naphthalen-5-one
SMILESCC1(C2(C)CCC3Cc4ccccc4C(=O)C3CC2)CCCCCCCC1
InChIInChI=1S/C26H38O/c1-25(15-9-5-3-4-6-10-16-25)26(2)17-13-21-19-20-11-7-8-12-22(20)24(27)23(21)14-18-26/h7-8,11-12,21,23H,3-6,9-10,13-19H2,1-2H3
InChIKeyPCLIUZVPPCTMFS-UHFFFAOYSA-N
MW366.59 g/mol
LogP7.38
Rot. Bonds1

About 8-methyl-8-(1-methylcyclononyl)-6,7,9,10,10a,11-hexahydro-5aH-cyclohepta[b]naphthalen-5-one

8-methyl-8-(1-methylcyclononyl)-6,7,9,10,10a,11-hexahydro-5aH-cyclohepta[b]naphthalen-5-one (PubChem CID 90983152) has the molecular formula C26H38O and a molecular weight of 366.59 g/mol. Its IUPAC name is 8-methyl-8-(1-methylcyclononyl)-6,7,9,10,10a,11-hexahydro-5aH-cyclohepta[b]naphthalen-5-one.

Molecular Properties

Compound Name8-methyl-8-(1-methylcyclononyl)-6,7,9,10,10a,11-hexahydro-5aH-cyclohepta[b]naphthalen-5-one
PubChem CID90983152
Molecular FormulaC26H38O
Molecular Weight366.59 g/mol
Exact Mass366.29
IUPAC Name8-methyl-8-(1-methylcyclononyl)-6,7,9,10,10a,11-hexahydro-5aH-cyclohepta[b]naphthalen-5-one
SMILESCC1(C2(C)CCC3Cc4ccccc4C(=O)C3CC2)CCCCCCCC1
InChIInChI=1S/C26H38O/c1-25(15-9-5-3-4-6-10-16-25)26(2)17-13-21-19-20-11-7-8-12-22(20)24(27)23(21)14-18-26/h7-8,11-12,21,23H,3-6,9-10,13-19H2,1-2H3
InChIKeyPCLIUZVPPCTMFS-UHFFFAOYSA-N
XLogP7.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-methyl-8-(1-methylcyclononyl)-6,7,9,10,10a,11-hexahydro-5aH-cyclohepta[b]naphthalen-5-one with MolForge

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Related Compounds

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cyclohexyl-methyl-(3-oxo-1,2-dihydroinden-2-yl)sulfanium
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(2S)-2-methyl-2,3-dihydroinden-1-one
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4,4a,9,9a-tetrahydro-3H-anthracene-1,2,10-trione
CID 123667942
(2aS,8aS)-8a-methyl-1,2,2a,8-tetrahydrocyclobuta[b]naphthalen-3-one
CID 10330073
3,4,4a,9,9a,10-hexahydro-2H-anthracen-1-one
CID 14170207
(2S,3'R)-3'-cyclohexylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 11139739
2-(cyclohexylamino)-2,3-dihydroinden-1-one
CID 145356897
7,7-dimethyl-5,5a,6,8,9,10,10a,11-octahydrocyclohepta[b]naphthalene
CID 144542700
(2R)-2-hydroxy-2,3-dihydroinden-1-one
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2-(2-ethylcyclopropyl)-2,3-dihydroinden-1-one
CID 123722832

Frequently Asked Questions

What is the IUPAC name of 8-methyl-8-(1-methylcyclononyl)-6,7,9,10,10a,11-hexahydro-5aH-cyclohepta[b]naphthalen-5-one?
The IUPAC name of 8-methyl-8-(1-methylcyclononyl)-6,7,9,10,10a,11-hexahydro-5aH-cyclohepta[b]naphthalen-5-one (CID 90983152) is 8-methyl-8-(1-methylcyclononyl)-6,7,9,10,10a,11-hexahydro-5aH-cyclohepta[b]naphthalen-5-one.
What is the SMILES notation for 8-methyl-8-(1-methylcyclononyl)-6,7,9,10,10a,11-hexahydro-5aH-cyclohepta[b]naphthalen-5-one?
The canonical SMILES for 8-methyl-8-(1-methylcyclononyl)-6,7,9,10,10a,11-hexahydro-5aH-cyclohepta[b]naphthalen-5-one is CC1(C2(C)CCC3Cc4ccccc4C(=O)C3CC2)CCCCCCCC1.
What is the InChIKey of 8-methyl-8-(1-methylcyclononyl)-6,7,9,10,10a,11-hexahydro-5aH-cyclohepta[b]naphthalen-5-one?
The InChIKey is PCLIUZVPPCTMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O/c1-25(15-9-5-3-4-6-10-16-25)26(2)17-13-21-19-20-11-7-8-12-22(20)24(27)23(21)14-18-26/h7-8,11-12,21,23H,3-6,9-10,13-19H2,1-2H3.
What are the key properties of 8-methyl-8-(1-methylcyclononyl)-6,7,9,10,10a,11-hexahydro-5aH-cyclohepta[b]naphthalen-5-one?
8-methyl-8-(1-methylcyclononyl)-6,7,9,10,10a,11-hexahydro-5aH-cyclohepta[b]naphthalen-5-one has a molecular weight of 366.59 g/mol, XLogP of 7.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8-(1-methylcyclononyl)-6,7,9,10,10a,11-hexahydro-5aH-cyclohepta[b]naphthalen-5-one is sourced from PubChem (CID 90983152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).