2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-hexylfuran

C16H24O — CID 143267656

IUPAC2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-hexylfuran
SMILESC/C=C\C(=C/C)c1ccc(CCCCCC)o1
InChIInChI=1S/C16H24O/c1-4-7-8-9-11-15-12-13-16(17-15)14(6-3)10-5-2/h5-6,10,12-13H,4,7-9,11H2,1-3H3/b10-5-,14-6+
InChIKeyWYHJYLHTXMLJAM-PFTVNYSJSA-N
MW232.37 g/mol
LogP5.38
Rot. Bonds7

About 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-hexylfuran

2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-hexylfuran (PubChem CID 143267656) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-hexylfuran.

Molecular Properties

Compound Name2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-hexylfuran
PubChem CID143267656
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-hexylfuran
SMILESC/C=C\C(=C/C)c1ccc(CCCCCC)o1
InChIInChI=1S/C16H24O/c1-4-7-8-9-11-15-12-13-16(17-15)14(6-3)10-5-2/h5-6,10,12-13H,4,7-9,11H2,1-3H3/b10-5-,14-6+
InChIKeyWYHJYLHTXMLJAM-PFTVNYSJSA-N
XLogP5.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.37
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-hexylfuran-2-carboxylic acid
CID 86015959
5-pentadecylfuran-2-carboxylic acid
CID 177129672
bis(5-octadecylfuran-2-yl)iodanium
CID 139729189
2-(5-hexylfuran-2-yl)acetic acid
CID 10954815
2-hexyl-5-propan-2-ylfuran
CID 11615340
acetic acid;8-(5-hexylfuran-2-yl)octan-1-ol
CID 71319263
(5-tetradecylfuran-2-yl)methanesulfonic acid
CID 155313093
5-heptylfuran-2-sulfonic acid
CID 129105151
1-butyl-4-nonylbenzene
CID 59545302
N-tert-butyl-5-butylfuran-2-carboxamide
CID 70989839
4-(5-hexylfuran-2-yl)benzene-1,2-diol
CID 24871715
(2-oxo-6-pentylpyran-3-yl) hydrogen carbonate
CID 57216878

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-hexylfuran?
The IUPAC name of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-hexylfuran (CID 143267656) is 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-hexylfuran.
What is the SMILES notation for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-hexylfuran?
The canonical SMILES for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-hexylfuran is C/C=C\C(=C/C)c1ccc(CCCCCC)o1.
What is the InChIKey of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-hexylfuran?
The InChIKey is WYHJYLHTXMLJAM-PFTVNYSJSA-N. The full InChI is InChI=1S/C16H24O/c1-4-7-8-9-11-15-12-13-16(17-15)14(6-3)10-5-2/h5-6,10,12-13H,4,7-9,11H2,1-3H3/b10-5-,14-6+.
What are the key properties of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-hexylfuran?
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-hexylfuran has a molecular weight of 232.37 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-hexylfuran is sourced from PubChem (CID 143267656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).