4-cyclopentyloxan-2-one

C10H16O2 — CID 83816062

IUPAC4-cyclopentyloxan-2-one
SMILESO=C1CC(C2CCCC2)CCO1
InChIInChI=1S/C10H16O2/c11-10-7-9(5-6-12-10)8-3-1-2-4-8/h8-9H,1-7H2
InChIKeyIDLCQZOGZXBSKK-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.13
Rot. Bonds1

About 4-cyclopentyloxan-2-one

4-cyclopentyloxan-2-one (PubChem CID 83816062) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-cyclopentyloxan-2-one.

Molecular Properties

Compound Name4-cyclopentyloxan-2-one
PubChem CID83816062
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-cyclopentyloxan-2-one
SMILESO=C1CC(C2CCCC2)CCO1
InChIInChI=1S/C10H16O2/c11-10-7-9(5-6-12-10)8-3-1-2-4-8/h8-9H,1-7H2
InChIKeyIDLCQZOGZXBSKK-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopentyloxolan-2-one
CID 12664736
(4R)-4-(azetidin-3-yl)oxan-2-one
CID 86336140
4-(azetidin-3-yl)oxan-2-one;hydrochloride
CID 75464900
4-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxan-2-one
CID 71217325
4-oxabicyclo[14.1.0]heptadecane-5,9-dione
CID 141013628
(1R,7R)-4-oxabicyclo[5.5.0]dodecane-2,5-dione
CID 11287061
(3aR)-1,3,3a,4,5,6,7,7a-octahydroinden-2-one
CID 139265840
4-(5-oxooxolan-3-yl)oxolan-2-one
CID 89449763
4-(sulfanylmethyl)oxan-2-one
CID 156711124
3,3a,4,5,6,7,8,8a-octahydrocyclohepta[b]furan-2-one
CID 12654980
(9aR)-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]furan-2-one
CID 101268349
2-oxooxane-4-carboxylic acid
CID 69173486

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxan-2-one?
The IUPAC name of 4-cyclopentyloxan-2-one (CID 83816062) is 4-cyclopentyloxan-2-one.
What is the SMILES notation for 4-cyclopentyloxan-2-one?
The canonical SMILES for 4-cyclopentyloxan-2-one is O=C1CC(C2CCCC2)CCO1.
What is the InChIKey of 4-cyclopentyloxan-2-one?
The InChIKey is IDLCQZOGZXBSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-10-7-9(5-6-12-10)8-3-1-2-4-8/h8-9H,1-7H2.
What are the key properties of 4-cyclopentyloxan-2-one?
4-cyclopentyloxan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxan-2-one is sourced from PubChem (CID 83816062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).