4-cyclopentyloxybutan-2-one

C9H16O2 — CID 60747821

IUPAC4-cyclopentyloxybutan-2-one
SMILESCC(=O)CCOC1CCCC1
InChIInChI=1S/C9H16O2/c1-8(10)6-7-11-9-4-2-3-5-9/h9H,2-7H2,1H3
InChIKeyZJETUSBLKIEYHH-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.92
Rot. Bonds4

About 4-cyclopentyloxybutan-2-one

4-cyclopentyloxybutan-2-one (PubChem CID 60747821) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 4-cyclopentyloxybutan-2-one.

Molecular Properties

Compound Name4-cyclopentyloxybutan-2-one
PubChem CID60747821
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name4-cyclopentyloxybutan-2-one
SMILESCC(=O)CCOC1CCCC1
InChIInChI=1S/C9H16O2/c1-8(10)6-7-11-9-4-2-3-5-9/h9H,2-7H2,1H3
InChIKeyZJETUSBLKIEYHH-UHFFFAOYSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxybutan-2-one?
The IUPAC name of 4-cyclopentyloxybutan-2-one (CID 60747821) is 4-cyclopentyloxybutan-2-one.
What is the SMILES notation for 4-cyclopentyloxybutan-2-one?
The canonical SMILES for 4-cyclopentyloxybutan-2-one is CC(=O)CCOC1CCCC1.
What is the InChIKey of 4-cyclopentyloxybutan-2-one?
The InChIKey is ZJETUSBLKIEYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(10)6-7-11-9-4-2-3-5-9/h9H,2-7H2,1H3.
What are the key properties of 4-cyclopentyloxybutan-2-one?
4-cyclopentyloxybutan-2-one has a molecular weight of 156.22 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxybutan-2-one is sourced from PubChem (CID 60747821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).