6-methoxy-4a-methyl-2,3,4,5,8,8a-hexahydronaphthalen-1-one

C12H18O2 — CID 11298498

IUPAC6-methoxy-4a-methyl-2,3,4,5,8,8a-hexahydronaphthalen-1-one
SMILESCOC1=CCC2C(=O)CCCC2(C)C1
InChIInChI=1S/C12H18O2/c1-12-7-3-4-11(13)10(12)6-5-9(8-12)14-2/h5,10H,3-4,6-8H2,1-2H3
InChIKeyHZRASHOFTYQEKP-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.69
Rot. Bonds1

About 6-methoxy-4a-methyl-2,3,4,5,8,8a-hexahydronaphthalen-1-one

6-methoxy-4a-methyl-2,3,4,5,8,8a-hexahydronaphthalen-1-one (PubChem CID 11298498) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 6-methoxy-4a-methyl-2,3,4,5,8,8a-hexahydronaphthalen-1-one.

Molecular Properties

Compound Name6-methoxy-4a-methyl-2,3,4,5,8,8a-hexahydronaphthalen-1-one
PubChem CID11298498
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name6-methoxy-4a-methyl-2,3,4,5,8,8a-hexahydronaphthalen-1-one
SMILESCOC1=CCC2C(=O)CCCC2(C)C1
InChIInChI=1S/C12H18O2/c1-12-7-3-4-11(13)10(12)6-5-9(8-12)14-2/h5,10H,3-4,6-8H2,1-2H3
InChIKeyHZRASHOFTYQEKP-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methoxy-5-pentyl-2-cyclohexen-1-one
CID 3017092
1-[(4R,5R,6S)-4,5,6-trimethyl-2,3,4,5,7,8-hexahydrochromen-6-yl]ethanone
CID 24827355
(4aR,8aS)-2-methoxy-8a-methyl-3-propan-2-yl-5,8-dihydro-4aH-naphthalene-1,4-dione
CID 101358444
methyl (4aS,5S,8aR)-5-methyl-8-oxo-1,4,5,6,7,8a-hexahydronaphthalene-4a-carboxylate
CID 134889223
methyl (1R,5R)-5-[(1R)-1-methyl-2-oxocyclohexyl]cyclohex-3-ene-1-carboxylate
CID 134900445
methyl (4aS,5S,8aS)-5-methyl-8-oxo-1,4,5,6,7,8a-hexahydronaphthalene-4a-carboxylate
CID 134900824
(4aR,8aS)-6-methoxy-3,4,4a,7,8,8a-hexahydro-1H-naphthalen-2-one
CID 134922361
1-[(4R,5S,6R)-4,5,6-trimethyl-2,3,4,5,7,8-hexahydrochromen-6-yl]ethanone
CID 134940661
methyl (4aR,5R,8aS)-5,7-dimethyl-4-oxo-1,2,3,5,8,8a-hexahydronaphthalene-4a-carboxylate
CID 134991637
(1R)-4-methoxy-8,8-dimethylbicyclo[3.3.1]non-3-ene-2,9-dione
CID 135039759
(5R)-4-methoxy-6,6-dimethylbicyclo[3.3.1]non-3-ene-2,9-dione
CID 135039790
Methyl 1,2,3,5,6,7,8,8a-octahydro-2,8,8-trimethyl-2-naphthoate
CID 16205842

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4a-methyl-2,3,4,5,8,8a-hexahydronaphthalen-1-one?
The IUPAC name of 6-methoxy-4a-methyl-2,3,4,5,8,8a-hexahydronaphthalen-1-one (CID 11298498) is 6-methoxy-4a-methyl-2,3,4,5,8,8a-hexahydronaphthalen-1-one.
What is the SMILES notation for 6-methoxy-4a-methyl-2,3,4,5,8,8a-hexahydronaphthalen-1-one?
The canonical SMILES for 6-methoxy-4a-methyl-2,3,4,5,8,8a-hexahydronaphthalen-1-one is COC1=CCC2C(=O)CCCC2(C)C1.
What is the InChIKey of 6-methoxy-4a-methyl-2,3,4,5,8,8a-hexahydronaphthalen-1-one?
The InChIKey is HZRASHOFTYQEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-12-7-3-4-11(13)10(12)6-5-9(8-12)14-2/h5,10H,3-4,6-8H2,1-2H3.
What are the key properties of 6-methoxy-4a-methyl-2,3,4,5,8,8a-hexahydronaphthalen-1-one?
6-methoxy-4a-methyl-2,3,4,5,8,8a-hexahydronaphthalen-1-one has a molecular weight of 194.27 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4a-methyl-2,3,4,5,8,8a-hexahydronaphthalen-1-one is sourced from PubChem (CID 11298498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).