4-methoxy-3-methylcyclohexan-1-one

C8H14O2 — CID 19030145

IUPAC4-methoxy-3-methylcyclohexan-1-one
SMILESCOC1CCC(=O)CC1C
InChIInChI=1S/C8H14O2/c1-6-5-7(9)3-4-8(6)10-2/h6,8H,3-5H2,1-2H3
InChIKeyIYRWZFJDSQDLBD-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.39
Rot. Bonds1

About 4-methoxy-3-methylcyclohexan-1-one

4-methoxy-3-methylcyclohexan-1-one (PubChem CID 19030145) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-methoxy-3-methylcyclohexan-1-one.

Molecular Properties

Compound Name4-methoxy-3-methylcyclohexan-1-one
PubChem CID19030145
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-methoxy-3-methylcyclohexan-1-one
SMILESCOC1CCC(=O)CC1C
InChIInChI=1S/C8H14O2/c1-6-5-7(9)3-4-8(6)10-2/h6,8H,3-5H2,1-2H3
InChIKeyIYRWZFJDSQDLBD-UHFFFAOYSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methylcyclohexan-1-one?
The IUPAC name of 4-methoxy-3-methylcyclohexan-1-one (CID 19030145) is 4-methoxy-3-methylcyclohexan-1-one.
What is the SMILES notation for 4-methoxy-3-methylcyclohexan-1-one?
The canonical SMILES for 4-methoxy-3-methylcyclohexan-1-one is COC1CCC(=O)CC1C.
What is the InChIKey of 4-methoxy-3-methylcyclohexan-1-one?
The InChIKey is IYRWZFJDSQDLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-5-7(9)3-4-8(6)10-2/h6,8H,3-5H2,1-2H3.
What are the key properties of 4-methoxy-3-methylcyclohexan-1-one?
4-methoxy-3-methylcyclohexan-1-one has a molecular weight of 142.20 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 4-methoxy-3-methylcyclohexan-1-one is sourced from PubChem (CID 19030145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).