2-(2-hydroxy-3-methoxypropyl)cyclopentan-1-one

C9H16O3 — CID 22630610

IUPAC2-(2-hydroxy-3-methoxypropyl)cyclopentan-1-one
SMILESCOCC(O)CC1CCCC1=O
InChIInChI=1S/C9H16O3/c1-12-6-8(10)5-7-3-2-4-9(7)11/h7-8,10H,2-6H2,1H3
InChIKeyNFQNZQRAXCLWDS-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.75
Rot. Bonds4

About 2-(2-hydroxy-3-methoxypropyl)cyclopentan-1-one

2-(2-hydroxy-3-methoxypropyl)cyclopentan-1-one (PubChem CID 22630610) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methoxypropyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(2-hydroxy-3-methoxypropyl)cyclopentan-1-one
PubChem CID22630610
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-(2-hydroxy-3-methoxypropyl)cyclopentan-1-one
SMILESCOCC(O)CC1CCCC1=O
InChIInChI=1S/C9H16O3/c1-12-6-8(10)5-7-3-2-4-9(7)11/h7-8,10H,2-6H2,1H3
InChIKeyNFQNZQRAXCLWDS-UHFFFAOYSA-N
XLogP0.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-methoxypropyl)cyclopentan-1-one?
The IUPAC name of 2-(2-hydroxy-3-methoxypropyl)cyclopentan-1-one (CID 22630610) is 2-(2-hydroxy-3-methoxypropyl)cyclopentan-1-one.
What is the SMILES notation for 2-(2-hydroxy-3-methoxypropyl)cyclopentan-1-one?
The canonical SMILES for 2-(2-hydroxy-3-methoxypropyl)cyclopentan-1-one is COCC(O)CC1CCCC1=O.
What is the InChIKey of 2-(2-hydroxy-3-methoxypropyl)cyclopentan-1-one?
The InChIKey is NFQNZQRAXCLWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-12-6-8(10)5-7-3-2-4-9(7)11/h7-8,10H,2-6H2,1H3.
What are the key properties of 2-(2-hydroxy-3-methoxypropyl)cyclopentan-1-one?
2-(2-hydroxy-3-methoxypropyl)cyclopentan-1-one has a molecular weight of 172.22 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methoxypropyl)cyclopentan-1-one is sourced from PubChem (CID 22630610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).