2,6-dibutyl-3-prop-2-enylfuro[2,3-f][1]benzofuran

C21H26O2 — CID 23727510

IUPAC2,6-dibutyl-3-prop-2-enylfuro[2,3-f][1]benzofuran
SMILESC=CCc1c(CCCC)oc2cc3cc(CCCC)oc3cc12
InChIInChI=1S/C21H26O2/c1-4-7-10-16-12-15-13-21-18(14-20(15)22-16)17(9-6-3)19(23-21)11-8-5-2/h6,12-14H,3-5,7-11H2,1-2H3
InChIKeyAKINPJWFKXBUEB-UHFFFAOYSA-N
MW310.44 g/mol
LogP6.59
Rot. Bonds8

About 2,6-dibutyl-3-prop-2-enylfuro[2,3-f][1]benzofuran

2,6-dibutyl-3-prop-2-enylfuro[2,3-f][1]benzofuran (PubChem CID 23727510) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2,6-dibutyl-3-prop-2-enylfuro[2,3-f][1]benzofuran.

Molecular Properties

Compound Name2,6-dibutyl-3-prop-2-enylfuro[2,3-f][1]benzofuran
PubChem CID23727510
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name2,6-dibutyl-3-prop-2-enylfuro[2,3-f][1]benzofuran
SMILESC=CCc1c(CCCC)oc2cc3cc(CCCC)oc3cc12
InChIInChI=1S/C21H26O2/c1-4-7-10-16-12-15-13-21-18(14-20(15)22-16)17(9-6-3)19(23-21)11-8-5-2/h6,12-14H,3-5,7-11H2,1-2H3
InChIKeyAKINPJWFKXBUEB-UHFFFAOYSA-N
XLogP6.59
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-6-hex-1-ynyl-5-prop-2-enoxy-3-prop-2-enyl-1-benzofuran
CID 23727548
6,18-di(nonyl)-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
CID 58411060
2,6-bis(prop-2-enyl)furo[3,2-f][1]benzofuran
CID 23727580
6-heptyl-4-hydroxy-5-prop-2-enylpyran-2-one
CID 54706184
6-hexyl-7,19-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaene
CID 58410855
2-butyl-1-benzofuran-5-carboxylic acid
CID 71574140
7,13-dihexyl-14-oxa-3,4,5,6-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,4,7,9,11(15),12-heptaene
CID 177390033
2-decyl-1-benzofuran
CID 15365265
7,16-dipentyl-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 118651498
2-butyl-5-nitroso-1-benzofuran
CID 91555766
2-butyl-1-benzofuran-5-carbonitrile
CID 69361525
3-butyl-8-fluoro-7-prop-2-enoxyisochromen-1-one
CID 134190517

Frequently Asked Questions

What is the IUPAC name of 2,6-dibutyl-3-prop-2-enylfuro[2,3-f][1]benzofuran?
The IUPAC name of 2,6-dibutyl-3-prop-2-enylfuro[2,3-f][1]benzofuran (CID 23727510) is 2,6-dibutyl-3-prop-2-enylfuro[2,3-f][1]benzofuran.
What is the SMILES notation for 2,6-dibutyl-3-prop-2-enylfuro[2,3-f][1]benzofuran?
The canonical SMILES for 2,6-dibutyl-3-prop-2-enylfuro[2,3-f][1]benzofuran is C=CCc1c(CCCC)oc2cc3cc(CCCC)oc3cc12.
What is the InChIKey of 2,6-dibutyl-3-prop-2-enylfuro[2,3-f][1]benzofuran?
The InChIKey is AKINPJWFKXBUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2/c1-4-7-10-16-12-15-13-21-18(14-20(15)22-16)17(9-6-3)19(23-21)11-8-5-2/h6,12-14H,3-5,7-11H2,1-2H3.
What are the key properties of 2,6-dibutyl-3-prop-2-enylfuro[2,3-f][1]benzofuran?
2,6-dibutyl-3-prop-2-enylfuro[2,3-f][1]benzofuran has a molecular weight of 310.44 g/mol, XLogP of 6.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibutyl-3-prop-2-enylfuro[2,3-f][1]benzofuran is sourced from PubChem (CID 23727510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).