6-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one

C11H14O — CID 19835402

IUPAC6-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
SMILESCC1C=CC2=CC(=O)CCC2C1
InChIInChI=1S/C11H14O/c1-8-2-3-10-7-11(12)5-4-9(10)6-8/h2-3,7-9H,4-6H2,1H3
InChIKeyBNRMWBVMJULGFI-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.49
Rot. Bonds

About 6-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one

6-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one (PubChem CID 19835402) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 6-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one.

Molecular Properties

Compound Name6-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
PubChem CID19835402
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name6-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
SMILESCC1C=CC2=CC(=O)CCC2C1
InChIInChI=1S/C11H14O/c1-8-2-3-10-7-11(12)5-4-9(10)6-8/h2-3,7-9H,4-6H2,1H3
InChIKeyBNRMWBVMJULGFI-UHFFFAOYSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-methylcyclooct-2-en-1-one
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3-(3-methylcyclohexyl)cyclohex-2-en-1-one
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2-methyl-2,3,4,7,8,8a-hexahydronaphthalene-1,6-dione
CID 67459403
(8S,9S,10R,11S,13S,14S)-11-fluoro-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one?
The IUPAC name of 6-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one (CID 19835402) is 6-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one.
What is the SMILES notation for 6-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one?
The canonical SMILES for 6-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one is CC1C=CC2=CC(=O)CCC2C1.
What is the InChIKey of 6-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one?
The InChIKey is BNRMWBVMJULGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-8-2-3-10-7-11(12)5-4-9(10)6-8/h2-3,7-9H,4-6H2,1H3.
What are the key properties of 6-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one?
6-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one has a molecular weight of 162.23 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one is sourced from PubChem (CID 19835402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).