[(1E,3E)-4-methylocta-1,3-dienyl]benzene

C15H20 — CID 13273746

IUPAC[(1E,3E)-4-methylocta-1,3-dienyl]benzene
SMILESCCCC/C(C)=C/C=C/c1ccccc1
InChIInChI=1S/C15H20/c1-3-4-9-14(2)10-8-13-15-11-6-5-7-12-15/h5-8,10-13H,3-4,9H2,1-2H3/b13-8+,14-10+
InChIKeyAZJREJSHNFNACF-WCKMZMOMSA-N
MW200.32 g/mol
LogP4.84
Rot. Bonds5

About [(1E,3E)-4-methylocta-1,3-dienyl]benzene

[(1E,3E)-4-methylocta-1,3-dienyl]benzene (PubChem CID 13273746) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is [(1E,3E)-4-methylocta-1,3-dienyl]benzene.

Molecular Properties

Compound Name[(1E,3E)-4-methylocta-1,3-dienyl]benzene
PubChem CID13273746
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name[(1E,3E)-4-methylocta-1,3-dienyl]benzene
SMILESCCCC/C(C)=C/C=C/c1ccccc1
InChIInChI=1S/C15H20/c1-3-4-9-14(2)10-8-13-15-11-6-5-7-12-15/h5-8,10-13H,3-4,9H2,1-2H3/b13-8+,14-10+
InChIKeyAZJREJSHNFNACF-WCKMZMOMSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.84
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

(5-chloro-4-methylpenta-1,3-dienyl)benzene
CID 79323612
tributyl-[(2E,4Z)-5-phenylpenta-2,4-dien-2-yl]stannane
CID 11212663
4-methylpenta-1,3-dienylbenzene
CID 3614395
[(1E,3E)-1-butoxy-4-phenylbuta-1,3-dienyl]benzene
CID 87886241
(1-butoxy-4-phenylbuta-1,3-dienyl)benzene
CID 90913634
[(3Z)-octa-1,3-dienyl]benzene
CID 154692518
pentan-1-ol;(E)-stilbene
CID 172553874
(3-methyl-6-phenylhexa-1,3,5-trienyl)benzene
CID 618811
(1E,3E)-1-phenylundeca-1,3-dien-5-one
CID 5373541
(2E,4E)-2,5-dimethylnona-2,4-dienal;toluene
CID 142863265
pentanoic acid;3-phenylprop-2-enoic acid
CID 130331806
[(1E,3E,5E,6Z)-5-ethylidene-4-propylnona-1,3,6,8-tetraenyl]benzene
CID 142480935

Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-4-methylocta-1,3-dienyl]benzene?
The IUPAC name of [(1E,3E)-4-methylocta-1,3-dienyl]benzene (CID 13273746) is [(1E,3E)-4-methylocta-1,3-dienyl]benzene.
What is the SMILES notation for [(1E,3E)-4-methylocta-1,3-dienyl]benzene?
The canonical SMILES for [(1E,3E)-4-methylocta-1,3-dienyl]benzene is CCCC/C(C)=C/C=C/c1ccccc1.
What is the InChIKey of [(1E,3E)-4-methylocta-1,3-dienyl]benzene?
The InChIKey is AZJREJSHNFNACF-WCKMZMOMSA-N. The full InChI is InChI=1S/C15H20/c1-3-4-9-14(2)10-8-13-15-11-6-5-7-12-15/h5-8,10-13H,3-4,9H2,1-2H3/b13-8+,14-10+.
What are the key properties of [(1E,3E)-4-methylocta-1,3-dienyl]benzene?
[(1E,3E)-4-methylocta-1,3-dienyl]benzene has a molecular weight of 200.32 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-4-methylocta-1,3-dienyl]benzene is sourced from PubChem (CID 13273746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).