1-[1-(methoxymethyl)-2-methylcyclopentyl]-3-methylbutan-1-one

C13H24O2 — CID 67427162

IUPAC1-[1-(methoxymethyl)-2-methylcyclopentyl]-3-methylbutan-1-one
SMILESCOCC1(C(=O)CC(C)C)CCCC1C
InChIInChI=1S/C13H24O2/c1-10(2)8-12(14)13(9-15-4)7-5-6-11(13)3/h10-11H,5-9H2,1-4H3
InChIKeyZFPYJPJCVOLGTC-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.05
Rot. Bonds5

About 1-[1-(methoxymethyl)-2-methylcyclopentyl]-3-methylbutan-1-one

1-[1-(methoxymethyl)-2-methylcyclopentyl]-3-methylbutan-1-one (PubChem CID 67427162) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-[1-(methoxymethyl)-2-methylcyclopentyl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[1-(methoxymethyl)-2-methylcyclopentyl]-3-methylbutan-1-one
PubChem CID67427162
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-[1-(methoxymethyl)-2-methylcyclopentyl]-3-methylbutan-1-one
SMILESCOCC1(C(=O)CC(C)C)CCCC1C
InChIInChI=1S/C13H24O2/c1-10(2)8-12(14)13(9-15-4)7-5-6-11(13)3/h10-11H,5-9H2,1-4H3
InChIKeyZFPYJPJCVOLGTC-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(methoxymethyl)-2-methylcyclopentyl]-3-methylbutan-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)-2-methylcyclopentyl]-3-methylbutan-1-one?
The IUPAC name of 1-[1-(methoxymethyl)-2-methylcyclopentyl]-3-methylbutan-1-one (CID 67427162) is 1-[1-(methoxymethyl)-2-methylcyclopentyl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[1-(methoxymethyl)-2-methylcyclopentyl]-3-methylbutan-1-one?
The canonical SMILES for 1-[1-(methoxymethyl)-2-methylcyclopentyl]-3-methylbutan-1-one is COCC1(C(=O)CC(C)C)CCCC1C.
What is the InChIKey of 1-[1-(methoxymethyl)-2-methylcyclopentyl]-3-methylbutan-1-one?
The InChIKey is ZFPYJPJCVOLGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-10(2)8-12(14)13(9-15-4)7-5-6-11(13)3/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-[1-(methoxymethyl)-2-methylcyclopentyl]-3-methylbutan-1-one?
1-[1-(methoxymethyl)-2-methylcyclopentyl]-3-methylbutan-1-one has a molecular weight of 212.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methoxymethyl)-2-methylcyclopentyl]-3-methylbutan-1-one is sourced from PubChem (CID 67427162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).