2-butyl-6-hex-1-ynyl-5-prop-2-enoxy-3-prop-2-enyl-1-benzofuran

C24H30O2 — CID 23727548

IUPAC2-butyl-6-hex-1-ynyl-5-prop-2-enoxy-3-prop-2-enyl-1-benzofuran
SMILESC=CCOc1cc2c(CC=C)c(CCCC)oc2cc1C#CCCCC
InChIInChI=1S/C24H30O2/c1-5-9-11-12-14-19-17-24-21(18-23(19)25-16-8-4)20(13-7-3)22(26-24)15-10-6-2/h7-8,17-18H,3-6,9-11,13,15-16H2,1-2H3
InChIKeyZAHRBPUUMUSONY-UHFFFAOYSA-N
MW350.50 g/mol
LogP6.61
Rot. Bonds10

About 2-butyl-6-hex-1-ynyl-5-prop-2-enoxy-3-prop-2-enyl-1-benzofuran

2-butyl-6-hex-1-ynyl-5-prop-2-enoxy-3-prop-2-enyl-1-benzofuran (PubChem CID 23727548) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is 2-butyl-6-hex-1-ynyl-5-prop-2-enoxy-3-prop-2-enyl-1-benzofuran.

Molecular Properties

Compound Name2-butyl-6-hex-1-ynyl-5-prop-2-enoxy-3-prop-2-enyl-1-benzofuran
PubChem CID23727548
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Name2-butyl-6-hex-1-ynyl-5-prop-2-enoxy-3-prop-2-enyl-1-benzofuran
SMILESC=CCOc1cc2c(CC=C)c(CCCC)oc2cc1C#CCCCC
InChIInChI=1S/C24H30O2/c1-5-9-11-12-14-19-17-24-21(18-23(19)25-16-8-4)20(13-7-3)22(26-24)15-10-6-2/h7-8,17-18H,3-6,9-11,13,15-16H2,1-2H3
InChIKeyZAHRBPUUMUSONY-UHFFFAOYSA-N
XLogP6.61
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dibutyl-3-prop-2-enylfuro[2,3-f][1]benzofuran
CID 23727510
1,5-bis(but-3-enoxy)-2,4-bis(hex-1-ynyl)benzene
CID 86259576
6-heptyl-4-hydroxy-5-prop-2-enylpyran-2-one
CID 54706184
4,5-bis(hept-1-ynyl)benzene-1,2-dicarbonitrile
CID 10591528
4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene
CID 24770216
3-butyl-8-fluoro-7-prop-2-enoxyisochromen-1-one
CID 134190517
2-butyl-1-hex-1-ynyl-4-methoxybenzene
CID 10752845
4-fluoro-1-methoxy-2-oct-1-ynylbenzene
CID 146003413
2,3,7-trimethyl-8-octoxydibenzofuran
CID 59156344
2,6,11-tris(oct-7-enoxy)-3,7,10-tripentoxytriphenylene
CID 10485782
1-pentyl-4-[2-(4-prop-2-enoxyphenyl)ethynyl]benzene
CID 70371623
2-(2-phenylethyl)-3-prop-2-enyl-1-benzofuran
CID 101375091

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-hex-1-ynyl-5-prop-2-enoxy-3-prop-2-enyl-1-benzofuran?
The IUPAC name of 2-butyl-6-hex-1-ynyl-5-prop-2-enoxy-3-prop-2-enyl-1-benzofuran (CID 23727548) is 2-butyl-6-hex-1-ynyl-5-prop-2-enoxy-3-prop-2-enyl-1-benzofuran.
What is the SMILES notation for 2-butyl-6-hex-1-ynyl-5-prop-2-enoxy-3-prop-2-enyl-1-benzofuran?
The canonical SMILES for 2-butyl-6-hex-1-ynyl-5-prop-2-enoxy-3-prop-2-enyl-1-benzofuran is C=CCOc1cc2c(CC=C)c(CCCC)oc2cc1C#CCCCC.
What is the InChIKey of 2-butyl-6-hex-1-ynyl-5-prop-2-enoxy-3-prop-2-enyl-1-benzofuran?
The InChIKey is ZAHRBPUUMUSONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O2/c1-5-9-11-12-14-19-17-24-21(18-23(19)25-16-8-4)20(13-7-3)22(26-24)15-10-6-2/h7-8,17-18H,3-6,9-11,13,15-16H2,1-2H3.
What are the key properties of 2-butyl-6-hex-1-ynyl-5-prop-2-enoxy-3-prop-2-enyl-1-benzofuran?
2-butyl-6-hex-1-ynyl-5-prop-2-enoxy-3-prop-2-enyl-1-benzofuran has a molecular weight of 350.50 g/mol, XLogP of 6.61, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-hex-1-ynyl-5-prop-2-enoxy-3-prop-2-enyl-1-benzofuran is sourced from PubChem (CID 23727548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).