4-methoxycycloheptan-1-one

C8H14O2 — CID 551377

IUPAC4-methoxycycloheptan-1-one
SMILESCOC1CCCC(=O)CC1
InChIInChI=1S/C8H14O2/c1-10-8-4-2-3-7(9)5-6-8/h8H,2-6H2,1H3
InChIKeyJBCNVOZBHLLXMS-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.53
Rot. Bonds1

About 4-methoxycycloheptan-1-one

4-methoxycycloheptan-1-one (PubChem CID 551377) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-methoxycycloheptan-1-one.

Molecular Properties

Compound Name4-methoxycycloheptan-1-one
PubChem CID551377
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-methoxycycloheptan-1-one
SMILESCOC1CCCC(=O)CC1
InChIInChI=1S/C8H14O2/c1-10-8-4-2-3-7(9)5-6-8/h8H,2-6H2,1H3
InChIKeyJBCNVOZBHLLXMS-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

Analyze 4-methoxycycloheptan-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 4-methoxycycloheptan-1-one?
The IUPAC name of 4-methoxycycloheptan-1-one (CID 551377) is 4-methoxycycloheptan-1-one.
What is the SMILES notation for 4-methoxycycloheptan-1-one?
The canonical SMILES for 4-methoxycycloheptan-1-one is COC1CCCC(=O)CC1.
What is the InChIKey of 4-methoxycycloheptan-1-one?
The InChIKey is JBCNVOZBHLLXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-10-8-4-2-3-7(9)5-6-8/h8H,2-6H2,1H3.
What are the key properties of 4-methoxycycloheptan-1-one?
4-methoxycycloheptan-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-methoxycycloheptan-1-one is sourced from PubChem (CID 551377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).