1-cyclohexyl-2-(2-methylpropoxy)ethanone

C12H22O2 — CID 104751697

IUPAC1-cyclohexyl-2-(2-methylpropoxy)ethanone
SMILESCC(C)COCC(=O)C1CCCCC1
InChIInChI=1S/C12H22O2/c1-10(2)8-14-9-12(13)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyBYJKYHNTBGBXJW-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.81
Rot. Bonds5

About 1-cyclohexyl-2-(2-methylpropoxy)ethanone

1-cyclohexyl-2-(2-methylpropoxy)ethanone (PubChem CID 104751697) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-methylpropoxy)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-methylpropoxy)ethanone
PubChem CID104751697
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-cyclohexyl-2-(2-methylpropoxy)ethanone
SMILESCC(C)COCC(=O)C1CCCCC1
InChIInChI=1S/C12H22O2/c1-10(2)8-14-9-12(13)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyBYJKYHNTBGBXJW-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-2-(2-methylpropoxy)ethanone 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

1-cyclohexyl-2-[2-(2-methylpropoxy)ethoxy]ethanone
CID 106448351
1-cyclopentyl-2-propan-2-yloxyethanone
CID 79567551
1-cyclohexyl-3-methylbutan-1-one
CID 4144247
2-(2-methylpropoxy)ethyl cyclohexanecarboxylate
CID 59197441
N-[1-(2-methylpropoxy)propan-2-yl]cyclopentanecarboxamide
CID 56823316
1-cyclopentyl-2-octoxyethanone
CID 104751834
1-cyclohexyl-2-(2-trimethylsilylethoxymethoxy)ethanone
CID 11471281
1-cyclopentyl-7-methyloctan-1-one
CID 155793674
1-cyclohexyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanone
CID 104752153
1-cyclopentyl-2-[2-(3-methoxypropoxy)ethoxy]ethanone
CID 103178926
1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone
CID 104751838
(2-methylpropoxycarbonylamino) cyclohexanecarboxylate
CID 87874228

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-methylpropoxy)ethanone?
The IUPAC name of 1-cyclohexyl-2-(2-methylpropoxy)ethanone (CID 104751697) is 1-cyclohexyl-2-(2-methylpropoxy)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(2-methylpropoxy)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(2-methylpropoxy)ethanone is CC(C)COCC(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2-methylpropoxy)ethanone?
The InChIKey is BYJKYHNTBGBXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-10(2)8-14-9-12(13)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-(2-methylpropoxy)ethanone?
1-cyclohexyl-2-(2-methylpropoxy)ethanone has a molecular weight of 198.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-methylpropoxy)ethanone is sourced from PubChem (CID 104751697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).