4-hex-5-enyl-1,3-dioxolan-2-one

C9H14O3 — CID 10964943

IUPAC4-hex-5-enyl-1,3-dioxolan-2-one
SMILESC=CCCCCC1COC(=O)O1
InChIInChI=1S/C9H14O3/c1-2-3-4-5-6-8-7-11-9(10)12-8/h2,8H,1,3-7H2
InChIKeyVCTYSYFWIPOXME-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.27
Rot. Bonds5

About 4-hex-5-enyl-1,3-dioxolan-2-one

4-hex-5-enyl-1,3-dioxolan-2-one (PubChem CID 10964943) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-hex-5-enyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-hex-5-enyl-1,3-dioxolan-2-one
PubChem CID10964943
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name4-hex-5-enyl-1,3-dioxolan-2-one
SMILESC=CCCCCC1COC(=O)O1
InChIInChI=1S/C9H14O3/c1-2-3-4-5-6-8-7-11-9(10)12-8/h2,8H,1,3-7H2
InChIKeyVCTYSYFWIPOXME-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hex-5-enyl-1,3-dioxolan-2-one?
The IUPAC name of 4-hex-5-enyl-1,3-dioxolan-2-one (CID 10964943) is 4-hex-5-enyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-hex-5-enyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-hex-5-enyl-1,3-dioxolan-2-one is C=CCCCCC1COC(=O)O1.
What is the InChIKey of 4-hex-5-enyl-1,3-dioxolan-2-one?
The InChIKey is VCTYSYFWIPOXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-3-4-5-6-8-7-11-9(10)12-8/h2,8H,1,3-7H2.
What are the key properties of 4-hex-5-enyl-1,3-dioxolan-2-one?
4-hex-5-enyl-1,3-dioxolan-2-one has a molecular weight of 170.21 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hex-5-enyl-1,3-dioxolan-2-one is sourced from PubChem (CID 10964943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).