4a,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one

C12H18O — CID 565274

IUPAC4a,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
SMILESCC12C=CC(=O)CC1(C)CCCC2
InChIInChI=1S/C12H18O/c1-11-6-3-4-7-12(11,2)9-10(13)5-8-11/h5,8H,3-4,6-7,9H2,1-2H3
InChIKeyVOJWKQKYBILFPP-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.10
Rot. Bonds

About 4a,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one

4a,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one (PubChem CID 565274) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 4a,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name4a,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
PubChem CID565274
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name4a,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
SMILESCC12C=CC(=O)CC1(C)CCCC2
InChIInChI=1S/C12H18O/c1-11-6-3-4-7-12(11,2)9-10(13)5-8-11/h5,8H,3-4,6-7,9H2,1-2H3
InChIKeyVOJWKQKYBILFPP-UHFFFAOYSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4aS,6R,8aR)-4a,8a-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
CID 11031401
(4aS,5S,8aR)-4a-hydroxy-5,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
CID 71665668
spiro[4.5]dec-3-en-2-one;hydrochloride
CID 20548247
(4aS,8aR)-4a,8a-dimethyl-1,2,3,4,5,6-hexahydronaphthalene
CID 14339064
6,6-dimethylcyclohept-2-ene-1,4-dione
CID 70336025
pyrrole-2,5-dione;2,2,6,6-tetramethylpiperidine
CID 161421450
4a,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 26067
(1aS,4aR,8aR)-4a,8,8-trimethyl-1a,5,6,7-tetrahydro-1H-cyclopropa[j]naphthalen-2-one
CID 11481130
5-methyl-2,5-bis(1-methylcyclohexyl)cyclohexa-1,3-diene
CID 141409327
1,5-dimethylbicyclo[3.2.0]heptan-6-one
CID 71351670
(2R,3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one
CID 71507304
(3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene
CID 160715479

Frequently Asked Questions

What is the IUPAC name of 4a,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one?
The IUPAC name of 4a,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one (CID 565274) is 4a,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one.
What is the SMILES notation for 4a,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one?
The canonical SMILES for 4a,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one is CC12C=CC(=O)CC1(C)CCCC2.
What is the InChIKey of 4a,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one?
The InChIKey is VOJWKQKYBILFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-11-6-3-4-7-12(11,2)9-10(13)5-8-11/h5,8H,3-4,6-7,9H2,1-2H3.
What are the key properties of 4a,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one?
4a,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one has a molecular weight of 178.28 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one is sourced from PubChem (CID 565274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).