[(1E)-3-butylocta-1,3,4-trienyl]benzene

C18H24 — CID 10988411

IUPAC[(1E)-3-butylocta-1,3,4-trienyl]benzene
SMILESCCCC=C=C(/C=C/c1ccccc1)CCCC
InChIInChI=1S/C18H24/c1-3-5-8-12-17(11-6-4-2)15-16-18-13-9-7-10-14-18/h7-10,13-16H,3-6,11H2,1-2H3/b16-15+
InChIKeyQJSKBPOZQZZXGC-FOCLMDBBSA-N
MW240.39 g/mol
LogP5.77
Rot. Bonds7

About [(1E)-3-butylocta-1,3,4-trienyl]benzene

[(1E)-3-butylocta-1,3,4-trienyl]benzene (PubChem CID 10988411) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is [(1E)-3-butylocta-1,3,4-trienyl]benzene.

Molecular Properties

Compound Name[(1E)-3-butylocta-1,3,4-trienyl]benzene
PubChem CID10988411
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name[(1E)-3-butylocta-1,3,4-trienyl]benzene
SMILESCCCC=C=C(/C=C/c1ccccc1)CCCC
InChIInChI=1S/C18H24/c1-3-5-8-12-17(11-6-4-2)15-16-18-13-9-7-10-14-18/h7-10,13-16H,3-6,11H2,1-2H3/b16-15+
InChIKeyQJSKBPOZQZZXGC-FOCLMDBBSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-(3,3-dimethyl-4-phenylbut-1-enylidene)undec-1-enyl]benzene
CID 11675426
pentanoic acid;3-phenylprop-2-enoic acid
CID 130331806
2-(2-cyanoethenyl)-3-(2-phenylethenyl)hept-2-enoic acid
CID 87526771
(Z)-1-phenyltetradec-1-en-3-one
CID 98536945
1-phenylundec-1-en-3-one
CID 3805572
[(1E,3E)-3-bromonona-1,3-dienyl]benzene
CID 135039609
(E)-3-[(E)-2-phenylethenyl]dec-3-en-1-ol
CID 14452107
[(1E,3E)-4-methylocta-1,3-dienyl]benzene
CID 13273746
pentan-1-ol;(E)-stilbene
CID 172553874
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
(2E,4E)-N-butyl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine
CID 10015927
N-[(E)-4-phenylbut-3-enyl]pentanamide
CID 110667590

Frequently Asked Questions

What is the IUPAC name of [(1E)-3-butylocta-1,3,4-trienyl]benzene?
The IUPAC name of [(1E)-3-butylocta-1,3,4-trienyl]benzene (CID 10988411) is [(1E)-3-butylocta-1,3,4-trienyl]benzene.
What is the SMILES notation for [(1E)-3-butylocta-1,3,4-trienyl]benzene?
The canonical SMILES for [(1E)-3-butylocta-1,3,4-trienyl]benzene is CCCC=C=C(/C=C/c1ccccc1)CCCC.
What is the InChIKey of [(1E)-3-butylocta-1,3,4-trienyl]benzene?
The InChIKey is QJSKBPOZQZZXGC-FOCLMDBBSA-N. The full InChI is InChI=1S/C18H24/c1-3-5-8-12-17(11-6-4-2)15-16-18-13-9-7-10-14-18/h7-10,13-16H,3-6,11H2,1-2H3/b16-15+.
What are the key properties of [(1E)-3-butylocta-1,3,4-trienyl]benzene?
[(1E)-3-butylocta-1,3,4-trienyl]benzene has a molecular weight of 240.39 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-3-butylocta-1,3,4-trienyl]benzene is sourced from PubChem (CID 10988411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).