5-hex-3-enyloxolan-2-one;5-[(E)-hex-3-enyl]oxolan-2-one

C20H32O4 — CID 155887632

IUPAC5-hex-3-enyloxolan-2-one;5-[(E)-hex-3-enyl]oxolan-2-one
SMILESCC/C=C/CCC1CCC(=O)O1.CCC=CCCC1CCC(=O)O1
InChIInChI=1S/2C10H16O2/c2*1-2-3-4-5-6-9-7-8-10(11)12-9/h2*3-4,9H,2,5-8H2,1H3/b4-3+;
InChIKeyKDMDJPLSSNBIHO-BJILWQEISA-N
MW336.47 g/mol
LogP4.88
Rot. Bonds8

About 5-hex-3-enyloxolan-2-one;5-[(E)-hex-3-enyl]oxolan-2-one

5-hex-3-enyloxolan-2-one;5-[(E)-hex-3-enyl]oxolan-2-one (PubChem CID 155887632) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is 5-hex-3-enyloxolan-2-one;5-[(E)-hex-3-enyl]oxolan-2-one.

Molecular Properties

Compound Name5-hex-3-enyloxolan-2-one;5-[(E)-hex-3-enyl]oxolan-2-one
PubChem CID155887632
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name5-hex-3-enyloxolan-2-one;5-[(E)-hex-3-enyl]oxolan-2-one
SMILESCC/C=C/CCC1CCC(=O)O1.CCC=CCCC1CCC(=O)O1
InChIInChI=1S/2C10H16O2/c2*1-2-3-4-5-6-9-7-8-10(11)12-9/h2*3-4,9H,2,5-8H2,1H3/b4-3+;
InChIKeyKDMDJPLSSNBIHO-BJILWQEISA-N
XLogP4.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hex-3-enyloxolan-2-one;5-[(E)-hex-3-enyl]oxolan-2-one?
The IUPAC name of 5-hex-3-enyloxolan-2-one;5-[(E)-hex-3-enyl]oxolan-2-one (CID 155887632) is 5-hex-3-enyloxolan-2-one;5-[(E)-hex-3-enyl]oxolan-2-one.
What is the SMILES notation for 5-hex-3-enyloxolan-2-one;5-[(E)-hex-3-enyl]oxolan-2-one?
The canonical SMILES for 5-hex-3-enyloxolan-2-one;5-[(E)-hex-3-enyl]oxolan-2-one is CC/C=C/CCC1CCC(=O)O1.CCC=CCCC1CCC(=O)O1.
What is the InChIKey of 5-hex-3-enyloxolan-2-one;5-[(E)-hex-3-enyl]oxolan-2-one?
The InChIKey is KDMDJPLSSNBIHO-BJILWQEISA-N. The full InChI is InChI=1S/2C10H16O2/c2*1-2-3-4-5-6-9-7-8-10(11)12-9/h2*3-4,9H,2,5-8H2,1H3/b4-3+;.
What are the key properties of 5-hex-3-enyloxolan-2-one;5-[(E)-hex-3-enyl]oxolan-2-one?
5-hex-3-enyloxolan-2-one;5-[(E)-hex-3-enyl]oxolan-2-one has a molecular weight of 336.47 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hex-3-enyloxolan-2-one;5-[(E)-hex-3-enyl]oxolan-2-one is sourced from PubChem (CID 155887632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).