3-methoxycyclopentan-1-one

C6H10O2 — CID 54292409

IUPAC3-methoxycyclopentan-1-one
SMILESCOC1CCC(=O)C1
InChIInChI=1S/C6H10O2/c1-8-6-3-2-5(7)4-6/h6H,2-4H2,1H3
InChIKeyGFEOMMUMMYWXQG-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.75
Rot. Bonds1

About 3-methoxycyclopentan-1-one

3-methoxycyclopentan-1-one (PubChem CID 54292409) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 3-methoxycyclopentan-1-one.

Molecular Properties

Compound Name3-methoxycyclopentan-1-one
PubChem CID54292409
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name3-methoxycyclopentan-1-one
SMILESCOC1CCC(=O)C1
InChIInChI=1S/C6H10O2/c1-8-6-3-2-5(7)4-6/h6H,2-4H2,1H3
InChIKeyGFEOMMUMMYWXQG-UHFFFAOYSA-N
XLogP0.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxycyclopentan-1-one?
The IUPAC name of 3-methoxycyclopentan-1-one (CID 54292409) is 3-methoxycyclopentan-1-one.
What is the SMILES notation for 3-methoxycyclopentan-1-one?
The canonical SMILES for 3-methoxycyclopentan-1-one is COC1CCC(=O)C1.
What is the InChIKey of 3-methoxycyclopentan-1-one?
The InChIKey is GFEOMMUMMYWXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-8-6-3-2-5(7)4-6/h6H,2-4H2,1H3.
What are the key properties of 3-methoxycyclopentan-1-one?
3-methoxycyclopentan-1-one has a molecular weight of 114.14 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycyclopentan-1-one is sourced from PubChem (CID 54292409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).