2-(5-oxooxolan-2-yl)hexanal

C10H16O3 — CID 174705477

IUPAC2-(5-oxooxolan-2-yl)hexanal
SMILESCCCCC(C=O)C1CCC(=O)O1
InChIInChI=1S/C10H16O3/c1-2-3-4-8(7-11)9-5-6-10(12)13-9/h7-9H,2-6H2,1H3
InChIKeyPOWGYQDBQDEWGS-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.70
Rot. Bonds5

About 2-(5-oxooxolan-2-yl)hexanal

2-(5-oxooxolan-2-yl)hexanal (PubChem CID 174705477) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-(5-oxooxolan-2-yl)hexanal.

Molecular Properties

Compound Name2-(5-oxooxolan-2-yl)hexanal
PubChem CID174705477
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-(5-oxooxolan-2-yl)hexanal
SMILESCCCCC(C=O)C1CCC(=O)O1
InChIInChI=1S/C10H16O3/c1-2-3-4-8(7-11)9-5-6-10(12)13-9/h7-9H,2-6H2,1H3
InChIKeyPOWGYQDBQDEWGS-UHFFFAOYSA-N
XLogP1.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxooxolan-2-yl)hexanal?
The IUPAC name of 2-(5-oxooxolan-2-yl)hexanal (CID 174705477) is 2-(5-oxooxolan-2-yl)hexanal.
What is the SMILES notation for 2-(5-oxooxolan-2-yl)hexanal?
The canonical SMILES for 2-(5-oxooxolan-2-yl)hexanal is CCCCC(C=O)C1CCC(=O)O1.
What is the InChIKey of 2-(5-oxooxolan-2-yl)hexanal?
The InChIKey is POWGYQDBQDEWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-3-4-8(7-11)9-5-6-10(12)13-9/h7-9H,2-6H2,1H3.
What are the key properties of 2-(5-oxooxolan-2-yl)hexanal?
2-(5-oxooxolan-2-yl)hexanal has a molecular weight of 184.23 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxooxolan-2-yl)hexanal is sourced from PubChem (CID 174705477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).