5-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one

C11H16O — CID 12612699

IUPAC5-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
SMILESCC1CCCC2=C1CCCC2=O
InChIInChI=1S/C11H16O/c1-8-4-2-6-10-9(8)5-3-7-11(10)12/h8H,2-7H2,1H3
InChIKeySGABLWWRSJXXSS-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.86
Rot. Bonds

About 5-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one

5-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one (PubChem CID 12612699) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
PubChem CID12612699
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name5-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
SMILESCC1CCCC2=C1CCCC2=O
InChIInChI=1S/C11H16O/c1-8-4-2-6-10-9(8)5-3-7-11(10)12/h8H,2-7H2,1H3
InChIKeySGABLWWRSJXXSS-UHFFFAOYSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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7-methoxy-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The IUPAC name of 5-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one (CID 12612699) is 5-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The canonical SMILES for 5-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one is CC1CCCC2=C1CCCC2=O.
What is the InChIKey of 5-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The InChIKey is SGABLWWRSJXXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-8-4-2-6-10-9(8)5-3-7-11(10)12/h8H,2-7H2,1H3.
What are the key properties of 5-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
5-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one has a molecular weight of 164.25 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one is sourced from PubChem (CID 12612699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).