2-methoxy-1-(1-methoxycyclopentyl)ethanone

C9H16O3 — CID 104610256

IUPAC2-methoxy-1-(1-methoxycyclopentyl)ethanone
SMILESCOCC(=O)C1(OC)CCCC1
InChIInChI=1S/C9H16O3/c1-11-7-8(10)9(12-2)5-3-4-6-9/h3-7H2,1-2H3
InChIKeyXXVXCFVHRTVPMW-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.16
Rot. Bonds4

About 2-methoxy-1-(1-methoxycyclopentyl)ethanone

2-methoxy-1-(1-methoxycyclopentyl)ethanone (PubChem CID 104610256) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-methoxy-1-(1-methoxycyclopentyl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(1-methoxycyclopentyl)ethanone
PubChem CID104610256
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-methoxy-1-(1-methoxycyclopentyl)ethanone
SMILESCOCC(=O)C1(OC)CCCC1
InChIInChI=1S/C9H16O3/c1-11-7-8(10)9(12-2)5-3-4-6-9/h3-7H2,1-2H3
InChIKeyXXVXCFVHRTVPMW-UHFFFAOYSA-N
XLogP1.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(1-methoxycyclopentyl)ethanone?
The IUPAC name of 2-methoxy-1-(1-methoxycyclopentyl)ethanone (CID 104610256) is 2-methoxy-1-(1-methoxycyclopentyl)ethanone.
What is the SMILES notation for 2-methoxy-1-(1-methoxycyclopentyl)ethanone?
The canonical SMILES for 2-methoxy-1-(1-methoxycyclopentyl)ethanone is COCC(=O)C1(OC)CCCC1.
What is the InChIKey of 2-methoxy-1-(1-methoxycyclopentyl)ethanone?
The InChIKey is XXVXCFVHRTVPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-11-7-8(10)9(12-2)5-3-4-6-9/h3-7H2,1-2H3.
What are the key properties of 2-methoxy-1-(1-methoxycyclopentyl)ethanone?
2-methoxy-1-(1-methoxycyclopentyl)ethanone has a molecular weight of 172.22 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(1-methoxycyclopentyl)ethanone is sourced from PubChem (CID 104610256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).