hex-5-enyl 1-benzofuran-2-carboxylate

C15H16O3 — CID 154711242

IUPAChex-5-enyl 1-benzofuran-2-carboxylate
SMILESC=CCCCCOC(=O)c1cc2ccccc2o1
InChIInChI=1S/C15H16O3/c1-2-3-4-7-10-17-15(16)14-11-12-8-5-6-9-13(12)18-14/h2,5-6,8-9,11H,1,3-4,7,10H2
InChIKeyMNDDKNDJAFPGGA-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.95
Rot. Bonds6

About hex-5-enyl 1-benzofuran-2-carboxylate

hex-5-enyl 1-benzofuran-2-carboxylate (PubChem CID 154711242) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is hex-5-enyl 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namehex-5-enyl 1-benzofuran-2-carboxylate
PubChem CID154711242
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Namehex-5-enyl 1-benzofuran-2-carboxylate
SMILESC=CCCCCOC(=O)c1cc2ccccc2o1
InChIInChI=1S/C15H16O3/c1-2-3-4-7-10-17-15(16)14-11-12-8-5-6-9-13(12)18-14/h2,5-6,8-9,11H,1,3-4,7,10H2
InChIKeyMNDDKNDJAFPGGA-UHFFFAOYSA-N
XLogP3.95
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.95
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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Related Compounds

2-(1-benzofuran-2-carbonyloxy)ethyl-dimethylazanium
CID 3408102
3-(4-methylpiperazin-1-yl)propyl 1-benzofuran-2-carboxylate
CID 171343952
2-benzamidoethyl 1-benzofuran-2-carboxylate
CID 569920
tert-butyl 1-benzofuran-2-carboxylate
CID 63896278
1-O-pent-4-enyl 2-O-prop-2-enyl benzene-1,2-dicarboxylate
CID 12031226
dec-9-enyl 3-fluorobenzoate
CID 162393471
2-O-pent-4-enyl 1-O-tridecyl benzene-1,2-dicarboxylate
CID 91719806
1-O-octyl 2-O-pent-4-enyl benzene-1,2-dicarboxylate
CID 91719826
[4-(4-methylphenyl)phenyl] 1-benzofuran-2-carboxylate
CID 19189316
pentyl 4-oxochromene-2-carboxylate
CID 141077364
benzhydryl 1-benzofuran-2-carboxylate
CID 7210554
dec-9-enyl phenyl carbonate
CID 90888843

Frequently Asked Questions

What is the IUPAC name of hex-5-enyl 1-benzofuran-2-carboxylate?
The IUPAC name of hex-5-enyl 1-benzofuran-2-carboxylate (CID 154711242) is hex-5-enyl 1-benzofuran-2-carboxylate.
What is the SMILES notation for hex-5-enyl 1-benzofuran-2-carboxylate?
The canonical SMILES for hex-5-enyl 1-benzofuran-2-carboxylate is C=CCCCCOC(=O)c1cc2ccccc2o1.
What is the InChIKey of hex-5-enyl 1-benzofuran-2-carboxylate?
The InChIKey is MNDDKNDJAFPGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-2-3-4-7-10-17-15(16)14-11-12-8-5-6-9-13(12)18-14/h2,5-6,8-9,11H,1,3-4,7,10H2.
What are the key properties of hex-5-enyl 1-benzofuran-2-carboxylate?
hex-5-enyl 1-benzofuran-2-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-enyl 1-benzofuran-2-carboxylate is sourced from PubChem (CID 154711242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).