2-methyl-4-[(E)-tetradec-1-enyl]furan

C19H32O — CID 91799260

IUPAC2-methyl-4-[(E)-tetradec-1-enyl]furan
SMILESCCCCCCCCCCCC/C=C/c1coc(C)c1
InChIInChI=1S/C19H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-18(2)20-17-19/h14-17H,3-13H2,1-2H3/b15-14+
InChIKeyUFGWBUAUZFTAPV-CCEZHUSRSA-N
MW276.46 g/mol
LogP6.91
Rot. Bonds12

About 2-methyl-4-[(E)-tetradec-1-enyl]furan

2-methyl-4-[(E)-tetradec-1-enyl]furan (PubChem CID 91799260) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 2-methyl-4-[(E)-tetradec-1-enyl]furan.

Molecular Properties

Compound Name2-methyl-4-[(E)-tetradec-1-enyl]furan
PubChem CID91799260
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name2-methyl-4-[(E)-tetradec-1-enyl]furan
SMILESCCCCCCCCCCCC/C=C/c1coc(C)c1
InChIInChI=1S/C19H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-18(2)20-17-19/h14-17H,3-13H2,1-2H3/b15-14+
InChIKeyUFGWBUAUZFTAPV-CCEZHUSRSA-N
XLogP6.91
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-tridec-1-enylbenzene-1,3-diol
CID 71328262
5-[(E)-tetradec-1-enyl]benzene-1,3-diol
CID 102403768
5-oct-1-enylbenzene-1,3-diol
CID 54079025
[(E)-octadec-1-enyl]benzene
CID 22722345
4-[(E)-hex-1-enyl]-6-methylpyran-2-one
CID 11389915
2-[(E)-docos-1-enyl]naphthalene
CID 101307759
2-[(E)-dodec-1-enyl]naphthalene
CID 101304399
1-[(E)-dec-1-enyl]-3,5-dimethoxybenzene
CID 102295508
4-[(E)-hept-1-enyl]benzene-1,2-diol
CID 19968505
trimethyl-[4-[(E)-non-1-enyl]phenoxy]silane
CID 101261790
1-bromo-4-[(E)-dec-1-enyl]benzene
CID 102523301
2,5-bis(undec-1-enyl)furan
CID 90706742

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(E)-tetradec-1-enyl]furan?
The IUPAC name of 2-methyl-4-[(E)-tetradec-1-enyl]furan (CID 91799260) is 2-methyl-4-[(E)-tetradec-1-enyl]furan.
What is the SMILES notation for 2-methyl-4-[(E)-tetradec-1-enyl]furan?
The canonical SMILES for 2-methyl-4-[(E)-tetradec-1-enyl]furan is CCCCCCCCCCCC/C=C/c1coc(C)c1.
What is the InChIKey of 2-methyl-4-[(E)-tetradec-1-enyl]furan?
The InChIKey is UFGWBUAUZFTAPV-CCEZHUSRSA-N. The full InChI is InChI=1S/C19H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-18(2)20-17-19/h14-17H,3-13H2,1-2H3/b15-14+.
What are the key properties of 2-methyl-4-[(E)-tetradec-1-enyl]furan?
2-methyl-4-[(E)-tetradec-1-enyl]furan has a molecular weight of 276.46 g/mol, XLogP of 6.91, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(E)-tetradec-1-enyl]furan is sourced from PubChem (CID 91799260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).