5-hex-1-enyl-1-benzofuran

C14H16O — CID 57039277

IUPAC5-hex-1-enyl-1-benzofuran
SMILESCCCCC=Cc1ccc2occc2c1
InChIInChI=1S/C14H16O/c1-2-3-4-5-6-12-7-8-14-13(11-12)9-10-15-14/h5-11H,2-4H2,1H3
InChIKeyMSPIYVNCPDXJLH-UHFFFAOYSA-N
MW200.28 g/mol
LogP4.64
Rot. Bonds4

About 5-hex-1-enyl-1-benzofuran

5-hex-1-enyl-1-benzofuran (PubChem CID 57039277) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-hex-1-enyl-1-benzofuran.

Molecular Properties

Compound Name5-hex-1-enyl-1-benzofuran
PubChem CID57039277
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name5-hex-1-enyl-1-benzofuran
SMILESCCCCC=Cc1ccc2occc2c1
InChIInChI=1S/C14H16O/c1-2-3-4-5-6-12-7-8-14-13(11-12)9-10-15-14/h5-11H,2-4H2,1H3
InChIKeyMSPIYVNCPDXJLH-UHFFFAOYSA-N
XLogP4.64
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-hex-1-enyl-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-hex-1-enyl-1-benzofuran?
The IUPAC name of 5-hex-1-enyl-1-benzofuran (CID 57039277) is 5-hex-1-enyl-1-benzofuran.
What is the SMILES notation for 5-hex-1-enyl-1-benzofuran?
The canonical SMILES for 5-hex-1-enyl-1-benzofuran is CCCCC=Cc1ccc2occc2c1.
What is the InChIKey of 5-hex-1-enyl-1-benzofuran?
The InChIKey is MSPIYVNCPDXJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-2-3-4-5-6-12-7-8-14-13(11-12)9-10-15-14/h5-11H,2-4H2,1H3.
What are the key properties of 5-hex-1-enyl-1-benzofuran?
5-hex-1-enyl-1-benzofuran has a molecular weight of 200.28 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hex-1-enyl-1-benzofuran is sourced from PubChem (CID 57039277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).