1-methoxy-5-methylbicyclo[4.1.0]heptan-2-one

C9H14O2 — CID 130037006

IUPAC1-methoxy-5-methylbicyclo[4.1.0]heptan-2-one
SMILESCOC12CC1C(C)CCC2=O
InChIInChI=1S/C9H14O2/c1-6-3-4-8(10)9(11-2)5-7(6)9/h6-7H,3-5H2,1-2H3
InChIKeyOPUWFQHHRWMCCX-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.39
Rot. Bonds1

About 1-methoxy-5-methylbicyclo[4.1.0]heptan-2-one

1-methoxy-5-methylbicyclo[4.1.0]heptan-2-one (PubChem CID 130037006) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-methoxy-5-methylbicyclo[4.1.0]heptan-2-one.

Molecular Properties

Compound Name1-methoxy-5-methylbicyclo[4.1.0]heptan-2-one
PubChem CID130037006
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-methoxy-5-methylbicyclo[4.1.0]heptan-2-one
SMILESCOC12CC1C(C)CCC2=O
InChIInChI=1S/C9H14O2/c1-6-3-4-8(10)9(11-2)5-7(6)9/h6-7H,3-5H2,1-2H3
InChIKeyOPUWFQHHRWMCCX-UHFFFAOYSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,6R)-1-methoxy-5,5-dimethylbicyclo[4.1.0]heptan-2-one
CID 130949681
cis-(3S,4R)-2-hydroxy-2,3,4-trimethylcyclohexan-1-one
CID 10920759
methyl (3aR,6S,6aS,9aR,9bS)-6-methyl-1,9-dioxo-3a,4,5,6,6a,7,8,9b-octahydro-3H-azuleno[4,5-c]furan-9a-carboxylate
CID 15432640
cis-methyl (1S,2R)-2-methyl-5-oxocyclopentane-1-carboxylate
CID 11040926
trans-(1R,2R)-1-(1-methoxycyclopropyl)-2-methylcyclohexane
CID 12564478
(3aR,4aS,5R,8aR,9aR)-5,8a-dimethyl-3-methylidene-3a,4,4a,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-2,8-dione
CID 162931303
(1R,6S)-6-methoxybicyclo[4.2.0]octan-7-one
CID 131856385
trans-methyl (1R,2S)-1,2-dimethyl-5-oxocyclopentane-1-carboxylate
CID 11116480
9-methoxy-5-methylpentacyclo[12.2.2.01,12.04,11.09,11]octadecane-2,16-dione
CID 123224023
cis-(2R,3S)-3-methyl-2-propan-2-ylcyclopentan-1-one
CID 14379837
(2R,5R,9S,10R)-2-ethenyl-2,9,10-trimethyl-1-oxaspiro[4.5]decan-6-one
CID 10262981
(1R,5S,6R,7S)-6-methyltricyclo[5.3.0.01,5]decan-2-one
CID 130891455

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-methylbicyclo[4.1.0]heptan-2-one?
The IUPAC name of 1-methoxy-5-methylbicyclo[4.1.0]heptan-2-one (CID 130037006) is 1-methoxy-5-methylbicyclo[4.1.0]heptan-2-one.
What is the SMILES notation for 1-methoxy-5-methylbicyclo[4.1.0]heptan-2-one?
The canonical SMILES for 1-methoxy-5-methylbicyclo[4.1.0]heptan-2-one is COC12CC1C(C)CCC2=O.
What is the InChIKey of 1-methoxy-5-methylbicyclo[4.1.0]heptan-2-one?
The InChIKey is OPUWFQHHRWMCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-3-4-8(10)9(11-2)5-7(6)9/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-methoxy-5-methylbicyclo[4.1.0]heptan-2-one?
1-methoxy-5-methylbicyclo[4.1.0]heptan-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-methylbicyclo[4.1.0]heptan-2-one is sourced from PubChem (CID 130037006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).