1-[4-(methoxymethyl)cyclohexyl]-2-methylpropan-1-one

C12H22O2 — CID 166111938

IUPAC1-[4-(methoxymethyl)cyclohexyl]-2-methylpropan-1-one
SMILESCOCC1CCC(C(=O)C(C)C)CC1
InChIInChI=1S/C12H22O2/c1-9(2)12(13)11-6-4-10(5-7-11)8-14-3/h9-11H,4-8H2,1-3H3
InChIKeyZEBFUDBWKYRJCH-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.66
Rot. Bonds4

About 1-[4-(methoxymethyl)cyclohexyl]-2-methylpropan-1-one

1-[4-(methoxymethyl)cyclohexyl]-2-methylpropan-1-one (PubChem CID 166111938) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)cyclohexyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(methoxymethyl)cyclohexyl]-2-methylpropan-1-one
PubChem CID166111938
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-[4-(methoxymethyl)cyclohexyl]-2-methylpropan-1-one
SMILESCOCC1CCC(C(=O)C(C)C)CC1
InChIInChI=1S/C12H22O2/c1-9(2)12(13)11-6-4-10(5-7-11)8-14-3/h9-11H,4-8H2,1-3H3
InChIKeyZEBFUDBWKYRJCH-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(methoxymethyl)cyclohexyl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(methoxymethyl)cyclohexane-1-carboxylate
CID 154481896
1-cyclobutyl-2-methylpropan-1-one;ethane;3-[[4-(methoxymethyl)cyclohexyl]methoxy]propanamide;molecular hydrogen
CID 169158645
2-methyl-1-[4-(3-methylbutyl)cyclohexyl]propan-1-one
CID 158556884
methyl 4-[4-(methoxymethyl)cyclohexyl]cyclohexane-1-carboxylate
CID 70500440
2-[[4-(2-methylpropanoyl)cyclohexyl]methyl]cyclopentane-1,3-dione
CID 166559345
ethane;2-[4-(methoxymethyl)cyclohexyl]acetic acid
CID 145213044
[4-(methoxymethyl)cyclohexyl]methanol
CID 19938783
1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione
CID 58069219
1-(methoxymethyl)-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexane
CID 19899769
[4-(methoxymethyl)cyclohexyl]methyl 4-(2-methylpropanoyl)benzoate
CID 144946673
CID 172731803
CID 172731803
1-[5-(hydroxymethyl)cyclononyl]-2-methylpropan-1-one
CID 91067725

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)cyclohexyl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(methoxymethyl)cyclohexyl]-2-methylpropan-1-one (CID 166111938) is 1-[4-(methoxymethyl)cyclohexyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(methoxymethyl)cyclohexyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(methoxymethyl)cyclohexyl]-2-methylpropan-1-one is COCC1CCC(C(=O)C(C)C)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)cyclohexyl]-2-methylpropan-1-one?
The InChIKey is ZEBFUDBWKYRJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-9(2)12(13)11-6-4-10(5-7-11)8-14-3/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-[4-(methoxymethyl)cyclohexyl]-2-methylpropan-1-one?
1-[4-(methoxymethyl)cyclohexyl]-2-methylpropan-1-one has a molecular weight of 198.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)cyclohexyl]-2-methylpropan-1-one is sourced from PubChem (CID 166111938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).