1-[(E)-non-3-enyl]-1,3-dihydro-2-benzofuran

C17H24O — CID 10729009

IUPAC1-[(E)-non-3-enyl]-1,3-dihydro-2-benzofuran
SMILESCCCCC/C=C/CCC1OCc2ccccc21
InChIInChI=1S/C17H24O/c1-2-3-4-5-6-7-8-13-17-16-12-10-9-11-15(16)14-18-17/h6-7,9-12,17H,2-5,8,13-14H2,1H3/b7-6+
InChIKeySJZFTMBGJJMPBM-VOTSOKGWSA-N
MW244.38 g/mol
LogP5.17
Rot. Bonds7

About 1-[(E)-non-3-enyl]-1,3-dihydro-2-benzofuran

1-[(E)-non-3-enyl]-1,3-dihydro-2-benzofuran (PubChem CID 10729009) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[(E)-non-3-enyl]-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name1-[(E)-non-3-enyl]-1,3-dihydro-2-benzofuran
PubChem CID10729009
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-[(E)-non-3-enyl]-1,3-dihydro-2-benzofuran
SMILESCCCCC/C=C/CCC1OCc2ccccc21
InChIInChI=1S/C17H24O/c1-2-3-4-5-6-7-8-13-17-16-12-10-9-11-15(16)14-18-17/h6-7,9-12,17H,2-5,8,13-14H2,1H3/b7-6+
InChIKeySJZFTMBGJJMPBM-VOTSOKGWSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.38
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

3-(1,3-dihydro-2-benzofuran-1-yl)propan-1-ol
CID 57246882
1-(iodomethyl)-1,3-dihydro-2-benzofuran
CID 138756847
1,3-dibutyl-3,4-dihydro-1H-isochromene
CID 90912127
1-(nitrosomethyl)-1,3-dihydro-2-benzofuran
CID 90959977
1-[(E)-hept-1-enyl]-2-methylbenzene
CID 12013068
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
(5E,8E)-tetradeca-5,8-diene
CID 13430684
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
heptadeca-5,8,11-triene
CID 54101473
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
(9Z,12Z)-1-(1,3-dihydroisoindol-2-yl)octadeca-9,12-dien-1-one
CID 155622619
[(E)-oct-2-enyl]benzene
CID 13383320

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-non-3-enyl]-1,3-dihydro-2-benzofuran?
The IUPAC name of 1-[(E)-non-3-enyl]-1,3-dihydro-2-benzofuran (CID 10729009) is 1-[(E)-non-3-enyl]-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 1-[(E)-non-3-enyl]-1,3-dihydro-2-benzofuran?
The canonical SMILES for 1-[(E)-non-3-enyl]-1,3-dihydro-2-benzofuran is CCCCC/C=C/CCC1OCc2ccccc21.
What is the InChIKey of 1-[(E)-non-3-enyl]-1,3-dihydro-2-benzofuran?
The InChIKey is SJZFTMBGJJMPBM-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H24O/c1-2-3-4-5-6-7-8-13-17-16-12-10-9-11-15(16)14-18-17/h6-7,9-12,17H,2-5,8,13-14H2,1H3/b7-6+.
What are the key properties of 1-[(E)-non-3-enyl]-1,3-dihydro-2-benzofuran?
1-[(E)-non-3-enyl]-1,3-dihydro-2-benzofuran has a molecular weight of 244.38 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-non-3-enyl]-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 10729009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).