3-(3-hydroxypentan-3-yl)oxolan-2-one

C9H16O3 — CID 11206043

IUPAC3-(3-hydroxypentan-3-yl)oxolan-2-one
SMILESCCC(O)(CC)C1CCOC1=O
InChIInChI=1S/C9H16O3/c1-3-9(11,4-2)7-5-6-12-8(7)10/h7,11H,3-6H2,1-2H3
InChIKeyNXSNTXZHVAVYKH-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.10
Rot. Bonds3

About 3-(3-hydroxypentan-3-yl)oxolan-2-one

3-(3-hydroxypentan-3-yl)oxolan-2-one (PubChem CID 11206043) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 3-(3-hydroxypentan-3-yl)oxolan-2-one.

Molecular Properties

Compound Name3-(3-hydroxypentan-3-yl)oxolan-2-one
PubChem CID11206043
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name3-(3-hydroxypentan-3-yl)oxolan-2-one
SMILESCCC(O)(CC)C1CCOC1=O
InChIInChI=1S/C9H16O3/c1-3-9(11,4-2)7-5-6-12-8(7)10/h7,11H,3-6H2,1-2H3
InChIKeyNXSNTXZHVAVYKH-UHFFFAOYSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypentan-3-yl)oxolan-2-one?
The IUPAC name of 3-(3-hydroxypentan-3-yl)oxolan-2-one (CID 11206043) is 3-(3-hydroxypentan-3-yl)oxolan-2-one.
What is the SMILES notation for 3-(3-hydroxypentan-3-yl)oxolan-2-one?
The canonical SMILES for 3-(3-hydroxypentan-3-yl)oxolan-2-one is CCC(O)(CC)C1CCOC1=O.
What is the InChIKey of 3-(3-hydroxypentan-3-yl)oxolan-2-one?
The InChIKey is NXSNTXZHVAVYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-9(11,4-2)7-5-6-12-8(7)10/h7,11H,3-6H2,1-2H3.
What are the key properties of 3-(3-hydroxypentan-3-yl)oxolan-2-one?
3-(3-hydroxypentan-3-yl)oxolan-2-one has a molecular weight of 172.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypentan-3-yl)oxolan-2-one is sourced from PubChem (CID 11206043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).