(4aR,8aS)-6-methoxy-3,4,4a,7,8,8a-hexahydro-1H-naphthalen-2-one

C11H16O2 — CID 134922361

IUPAC(4aR,8aS)-6-methoxy-3,4,4a,7,8,8a-hexahydro-1H-naphthalen-2-one
SMILESCOC1=C[C@@H]2CCC(=O)C[C@@H]2CC1
InChIInChI=1S/C11H16O2/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h7-9H,2-6H2,1H3/t8-,9-/m0/s1
InChIKeyRSCGJKJZBVLSRA-IUCAKERBSA-N
MW180.25 g/mol
LogP2.30
Rot. Bonds1

About (4aR,8aS)-6-methoxy-3,4,4a,7,8,8a-hexahydro-1H-naphthalen-2-one

(4aR,8aS)-6-methoxy-3,4,4a,7,8,8a-hexahydro-1H-naphthalen-2-one (PubChem CID 134922361) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (4aR,8aS)-6-methoxy-3,4,4a,7,8,8a-hexahydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name(4aR,8aS)-6-methoxy-3,4,4a,7,8,8a-hexahydro-1H-naphthalen-2-one
PubChem CID134922361
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(4aR,8aS)-6-methoxy-3,4,4a,7,8,8a-hexahydro-1H-naphthalen-2-one
SMILESCOC1=C[C@@H]2CCC(=O)C[C@@H]2CC1
InChIInChI=1S/C11H16O2/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h7-9H,2-6H2,1H3/t8-,9-/m0/s1
InChIKeyRSCGJKJZBVLSRA-IUCAKERBSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4aR,8aS)-6-methoxy-3,4,4a,7,8,8a-hexahydro-1H-naphthalen-2-one with MolForge

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Related Compounds

Methyl 2-((1R,1aS,3aR,7aR,7bS)-6-oxo-1a,3a,4,5,6,7,7a,7b-octahydro-1H-cyclopropa[a]naphthalen-1-yl)acetate
CID 122401725
6-Methoxy-4a-methyl-2,3,4,5,8,8a-hexahydronaphthalen-1-one
CID 11298498
methyl (2R)-2-[(1R,4aS,8aR)-7-methyl-4-oxo-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-1-yl]propanoate
CID 12047399
5-methoxy-3,4,6,7,8,8a,9,9a-octahydro-2H-anthracen-1-one
CID 53766796
8-methoxy-3,4,4a,8a-tetrahydro-1H-naphthalen-2-one
CID 54355881
(4aS,8aR)-3-methyl-5,6,8,8a-tetrahydro-4aH-isochromene-1,7-dione
CID 56633438
(4aS,10aR)-4a-[(E)-but-2-enyl]-7-methoxy-1,3,4,5,8,9,10,10a-octahydrophenanthren-2-one
CID 68580794
7-Methoxy-5,5-dimethyl-2,3,4,4a,6,8a-hexahydronaphthalen-1-one
CID 69432005
6-Methoxytetrahydronaphthalen-2-one
CID 70467353
(3S)-3-(6-methoxy-1,7,8,8a-tetrahydronaphthalen-2-yl)butan-2-one
CID 70666011
(4S)-7-methoxy-4,10a-dimethyl-8-propyl-2,3,4,4a,4b,5,8,8a,9,10-decahydrophenanthren-1-one
CID 70935829
2-(4-Methoxycyclohexa-1,3-dien-1-yl)cyclohexan-1-one
CID 71001748

Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-6-methoxy-3,4,4a,7,8,8a-hexahydro-1H-naphthalen-2-one?
The IUPAC name of (4aR,8aS)-6-methoxy-3,4,4a,7,8,8a-hexahydro-1H-naphthalen-2-one (CID 134922361) is (4aR,8aS)-6-methoxy-3,4,4a,7,8,8a-hexahydro-1H-naphthalen-2-one.
What is the SMILES notation for (4aR,8aS)-6-methoxy-3,4,4a,7,8,8a-hexahydro-1H-naphthalen-2-one?
The canonical SMILES for (4aR,8aS)-6-methoxy-3,4,4a,7,8,8a-hexahydro-1H-naphthalen-2-one is COC1=C[C@@H]2CCC(=O)C[C@@H]2CC1.
What is the InChIKey of (4aR,8aS)-6-methoxy-3,4,4a,7,8,8a-hexahydro-1H-naphthalen-2-one?
The InChIKey is RSCGJKJZBVLSRA-IUCAKERBSA-N. The full InChI is InChI=1S/C11H16O2/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h7-9H,2-6H2,1H3/t8-,9-/m0/s1.
What are the key properties of (4aR,8aS)-6-methoxy-3,4,4a,7,8,8a-hexahydro-1H-naphthalen-2-one?
(4aR,8aS)-6-methoxy-3,4,4a,7,8,8a-hexahydro-1H-naphthalen-2-one has a molecular weight of 180.25 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-6-methoxy-3,4,4a,7,8,8a-hexahydro-1H-naphthalen-2-one is sourced from PubChem (CID 134922361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).