2-[(1E,3Z)-hexa-1,3-dienyl]furan

C10H12O — CID 102244674

IUPAC2-[(1E,3Z)-hexa-1,3-dienyl]furan
SMILESCC/C=C\C=C\c1ccco1
InChIInChI=1S/C10H12O/c1-2-3-4-5-7-10-8-6-9-11-10/h3-9H,2H2,1H3/b4-3-,7-5+
InChIKeyJWTQBWCMGOCZFC-QVXLNCAUSA-N
MW148.20 g/mol
LogP3.26
Rot. Bonds3

About 2-[(1E,3Z)-hexa-1,3-dienyl]furan

2-[(1E,3Z)-hexa-1,3-dienyl]furan (PubChem CID 102244674) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-[(1E,3Z)-hexa-1,3-dienyl]furan.

Molecular Properties

Compound Name2-[(1E,3Z)-hexa-1,3-dienyl]furan
PubChem CID102244674
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name2-[(1E,3Z)-hexa-1,3-dienyl]furan
SMILESCC/C=C\C=C\c1ccco1
InChIInChI=1S/C10H12O/c1-2-3-4-5-7-10-8-6-9-11-10/h3-9H,2H2,1H3/b4-3-,7-5+
InChIKeyJWTQBWCMGOCZFC-QVXLNCAUSA-N
XLogP3.26
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(furan-2-yl)penta-1,3-dienyl]furan
CID 141170087
2-nona-1,3,5,7-tetraenylfuran
CID 173428871
3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007
2-(2-ethoxyethenyl)furan
CID 173252893
butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 142079105
2-[(2E,4E)-5-(furan-2-yl)penta-2,4-dienyl]isoindole-1,3-dione
CID 14395653
2-(3-chloroprop-1-enyl)furan
CID 54215427
2-tridec-1-enylfuran
CID 76580057
lithium;butane;5-(furan-2-yl)penta-2,4-dienoic acid
CID 173216001
(E)-2-(furan-2-yl)ethenethiol
CID 87339498
N-[3-(furan-2-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 79348296
4-(furan-2-yl)but-3-ene-2-thione
CID 170923429

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3Z)-hexa-1,3-dienyl]furan?
The IUPAC name of 2-[(1E,3Z)-hexa-1,3-dienyl]furan (CID 102244674) is 2-[(1E,3Z)-hexa-1,3-dienyl]furan.
What is the SMILES notation for 2-[(1E,3Z)-hexa-1,3-dienyl]furan?
The canonical SMILES for 2-[(1E,3Z)-hexa-1,3-dienyl]furan is CC/C=C\C=C\c1ccco1.
What is the InChIKey of 2-[(1E,3Z)-hexa-1,3-dienyl]furan?
The InChIKey is JWTQBWCMGOCZFC-QVXLNCAUSA-N. The full InChI is InChI=1S/C10H12O/c1-2-3-4-5-7-10-8-6-9-11-10/h3-9H,2H2,1H3/b4-3-,7-5+.
What are the key properties of 2-[(1E,3Z)-hexa-1,3-dienyl]furan?
2-[(1E,3Z)-hexa-1,3-dienyl]furan has a molecular weight of 148.20 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3Z)-hexa-1,3-dienyl]furan is sourced from PubChem (CID 102244674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).