5-hydroxy-3-pentyloxolan-2-one

C9H16O3 — CID 67859808

IUPAC5-hydroxy-3-pentyloxolan-2-one
SMILESCCCCCC1CC(O)OC1=O
InChIInChI=1S/C9H16O3/c1-2-3-4-5-7-6-8(10)12-9(7)11/h7-8,10H,2-6H2,1H3
InChIKeyRSSRIBHFPWQISC-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.45
Rot. Bonds4

About 5-hydroxy-3-pentyloxolan-2-one

5-hydroxy-3-pentyloxolan-2-one (PubChem CID 67859808) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 5-hydroxy-3-pentyloxolan-2-one.

Molecular Properties

Compound Name5-hydroxy-3-pentyloxolan-2-one
PubChem CID67859808
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name5-hydroxy-3-pentyloxolan-2-one
SMILESCCCCCC1CC(O)OC1=O
InChIInChI=1S/C9H16O3/c1-2-3-4-5-7-6-8(10)12-9(7)11/h7-8,10H,2-6H2,1H3
InChIKeyRSSRIBHFPWQISC-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-pentyloxolan-2-one?
The IUPAC name of 5-hydroxy-3-pentyloxolan-2-one (CID 67859808) is 5-hydroxy-3-pentyloxolan-2-one.
What is the SMILES notation for 5-hydroxy-3-pentyloxolan-2-one?
The canonical SMILES for 5-hydroxy-3-pentyloxolan-2-one is CCCCCC1CC(O)OC1=O.
What is the InChIKey of 5-hydroxy-3-pentyloxolan-2-one?
The InChIKey is RSSRIBHFPWQISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-3-4-5-7-6-8(10)12-9(7)11/h7-8,10H,2-6H2,1H3.
What are the key properties of 5-hydroxy-3-pentyloxolan-2-one?
5-hydroxy-3-pentyloxolan-2-one has a molecular weight of 172.22 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-pentyloxolan-2-one is sourced from PubChem (CID 67859808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).