4-methoxy-4-methylcyclohexan-1-one

C8H14O2 — CID 59533776

IUPAC4-methoxy-4-methylcyclohexan-1-one
SMILESCOC1(C)CCC(=O)CC1
InChIInChI=1S/C8H14O2/c1-8(10-2)5-3-7(9)4-6-8/h3-6H2,1-2H3
InChIKeyZVHTXAFKEOHDMR-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.53
Rot. Bonds1

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

4-methoxy-4-methylcyclohexan-1-one (PubChem CID 59533776) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-methoxy-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name4-methoxy-4-methylcyclohexan-1-one
PubChem CID59533776
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-methoxy-4-methylcyclohexan-1-one
SMILESCOC1(C)CCC(=O)CC1
InChIInChI=1S/C8H14O2/c1-8(10-2)5-3-7(9)4-6-8/h3-6H2,1-2H3
InChIKeyZVHTXAFKEOHDMR-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxy-4-methylcyclohexanone
CID 28539
4-Ethyl-4-hydroxycyclohexan-1-one
CID 11367049
4-(Methoxymethyl)cyclohexan-1-one
CID 57829016
4-Butoxy-4-methylcyclohexan-1-one
CID 68334234
2,3-Difluoro-3-(methoxymethyl)cyclohexan-1-one
CID 57308981
4-Methoxy-4-(trifluoromethyl)cyclohexan-1-one
CID 89401466
4-(Difluoromethyl)-4-methoxycyclohexan-1-one
CID 172362182
3-(Tert-butoxymethyl)cyclohexanone
CID 13140419
2-Methoxy-2-methylcyclohexan-1-one
CID 15366496
(1-Methyl-4-oxocyclohexyl) acetate
CID 18712917
4-Methoxy-3-methylcyclohexan-1-one
CID 19030145
4-(1-Methoxycyclohexyl)butan-2-one
CID 21049809

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methylcyclohexan-1-one?
The IUPAC name of 4-methoxy-4-methylcyclohexan-1-one (CID 59533776) is 4-methoxy-4-methylcyclohexan-1-one.
What is the SMILES notation for 4-methoxy-4-methylcyclohexan-1-one?
The canonical SMILES for 4-methoxy-4-methylcyclohexan-1-one is COC1(C)CCC(=O)CC1.
What is the InChIKey of 4-methoxy-4-methylcyclohexan-1-one?
The InChIKey is ZVHTXAFKEOHDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-8(10-2)5-3-7(9)4-6-8/h3-6H2,1-2H3.
What are the key properties of 4-methoxy-4-methylcyclohexan-1-one?
4-methoxy-4-methylcyclohexan-1-one has a molecular weight of 142.20 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methylcyclohexan-1-one is sourced from PubChem (CID 59533776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).