3-methoxy-5-methylcyclohex-2-en-1-one

C8H12O2 — CID 12641265

IUPAC3-methoxy-5-methylcyclohex-2-en-1-one
SMILESCOC1=CC(=O)CC(C)C1
InChIInChI=1S/C8H12O2/c1-6-3-7(9)5-8(4-6)10-2/h5-6H,3-4H2,1-2H3
InChIKeySXMOAGMZSCSLIQ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.52
Rot. Bonds1

About 3-methoxy-5-methylcyclohex-2-en-1-one

3-methoxy-5-methylcyclohex-2-en-1-one (PubChem CID 12641265) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-methoxy-5-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-methoxy-5-methylcyclohex-2-en-1-one
PubChem CID12641265
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-methoxy-5-methylcyclohex-2-en-1-one
SMILESCOC1=CC(=O)CC(C)C1
InChIInChI=1S/C8H12O2/c1-6-3-7(9)5-8(4-6)10-2/h5-6H,3-4H2,1-2H3
InChIKeySXMOAGMZSCSLIQ-UHFFFAOYSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methylcyclohex-2-en-1-one?
The IUPAC name of 3-methoxy-5-methylcyclohex-2-en-1-one (CID 12641265) is 3-methoxy-5-methylcyclohex-2-en-1-one.
What is the SMILES notation for 3-methoxy-5-methylcyclohex-2-en-1-one?
The canonical SMILES for 3-methoxy-5-methylcyclohex-2-en-1-one is COC1=CC(=O)CC(C)C1.
What is the InChIKey of 3-methoxy-5-methylcyclohex-2-en-1-one?
The InChIKey is SXMOAGMZSCSLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-3-7(9)5-8(4-6)10-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-methoxy-5-methylcyclohex-2-en-1-one?
3-methoxy-5-methylcyclohex-2-en-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methylcyclohex-2-en-1-one is sourced from PubChem (CID 12641265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).