1-[1-(methoxymethyl)cyclohexyl]propan-1-one

C11H20O2 — CID 66919838

IUPAC1-[1-(methoxymethyl)cyclohexyl]propan-1-one
SMILESCCC(=O)C1(COC)CCCCC1
InChIInChI=1S/C11H20O2/c1-3-10(12)11(9-13-2)7-5-4-6-8-11/h3-9H2,1-2H3
InChIKeyJUSSBQBFVUIMNF-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.56
Rot. Bonds4

About 1-[1-(methoxymethyl)cyclohexyl]propan-1-one

1-[1-(methoxymethyl)cyclohexyl]propan-1-one (PubChem CID 66919838) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[1-(methoxymethyl)cyclohexyl]propan-1-one.

Molecular Properties

Compound Name1-[1-(methoxymethyl)cyclohexyl]propan-1-one
PubChem CID66919838
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-[1-(methoxymethyl)cyclohexyl]propan-1-one
SMILESCCC(=O)C1(COC)CCCCC1
InChIInChI=1S/C11H20O2/c1-3-10(12)11(9-13-2)7-5-4-6-8-11/h3-9H2,1-2H3
InChIKeyJUSSBQBFVUIMNF-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(methoxymethyl)cyclohexyl]propan-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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methoxymethyl)cyclohexyl]propan-1-one?
The IUPAC name of 1-[1-(methoxymethyl)cyclohexyl]propan-1-one (CID 66919838) is 1-[1-(methoxymethyl)cyclohexyl]propan-1-one.
What is the SMILES notation for 1-[1-(methoxymethyl)cyclohexyl]propan-1-one?
The canonical SMILES for 1-[1-(methoxymethyl)cyclohexyl]propan-1-one is CCC(=O)C1(COC)CCCCC1.
What is the InChIKey of 1-[1-(methoxymethyl)cyclohexyl]propan-1-one?
The InChIKey is JUSSBQBFVUIMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-10(12)11(9-13-2)7-5-4-6-8-11/h3-9H2,1-2H3.
What are the key properties of 1-[1-(methoxymethyl)cyclohexyl]propan-1-one?
1-[1-(methoxymethyl)cyclohexyl]propan-1-one has a molecular weight of 184.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methoxymethyl)cyclohexyl]propan-1-one is sourced from PubChem (CID 66919838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).