2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]furan

C11H12O — CID 155692254

IUPAC2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]furan
SMILESC=C/C(C)=C(\C=C)c1ccco1
InChIInChI=1S/C11H12O/c1-4-9(3)10(5-2)11-7-6-8-12-11/h4-8H,1-2H2,3H3/b10-9+
InChIKeyVYNFQXXTTJMAHM-MDZDMXLPSA-N
MW160.22 g/mol
LogP3.43
Rot. Bonds3

About 2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]furan

2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]furan (PubChem CID 155692254) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]furan.

Molecular Properties

Compound Name2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]furan
PubChem CID155692254
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]furan
SMILESC=C/C(C)=C(\C=C)c1ccco1
InChIInChI=1S/C11H12O/c1-4-9(3)10(5-2)11-7-6-8-12-11/h4-8H,1-2H2,3H3/b10-9+
InChIKeyVYNFQXXTTJMAHM-MDZDMXLPSA-N
XLogP3.43
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 53.43
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

ethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]benzene
CID 143435257
(E)-3-(furan-2-yl)but-2-enal
CID 12601620
2-[(E)-1-chloroprop-1-enyl]furan
CID 170605164
bis(furan-2-carbonyl)phosphanyl-(furan-2-yl)methanone
CID 18432898
furan-2-carboxylic acid;methanol
CID 70611195
1-(furan-2-yl)prop-2-en-1-one;1-methylpyrrolidine
CID 175602193
(Z)-2-(furan-2-yl)-3-hydroxyprop-2-enenitrile
CID 119089971
furan-2-carboxylic acid;methanamine
CID 82372767
[furan-2-yl(hydroxy)methylidene]chromium
CID 11728114
ethane;1-(furan-2-yl)butane-1,3-dione
CID 145463409
1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione
CID 15262340
furan-2-carboxylic acid;gold
CID 174701575

Frequently Asked Questions

What is the IUPAC name of 2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]furan?
The IUPAC name of 2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]furan (CID 155692254) is 2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]furan.
What is the SMILES notation for 2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]furan?
The canonical SMILES for 2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]furan is C=C/C(C)=C(\C=C)c1ccco1.
What is the InChIKey of 2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]furan?
The InChIKey is VYNFQXXTTJMAHM-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H12O/c1-4-9(3)10(5-2)11-7-6-8-12-11/h4-8H,1-2H2,3H3/b10-9+.
What are the key properties of 2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]furan?
2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]furan has a molecular weight of 160.22 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]furan is sourced from PubChem (CID 155692254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).