[(1E,3E)-2-methylocta-1,3-dienyl]benzene

C15H20 — CID 15953217

IUPAC[(1E,3E)-2-methylocta-1,3-dienyl]benzene
SMILESCCCC/C=C/C(C)=C/c1ccccc1
InChIInChI=1S/C15H20/c1-3-4-5-7-10-14(2)13-15-11-8-6-9-12-15/h6-13H,3-5H2,1-2H3/b10-7+,14-13+
InChIKeyURZWVYNZPPUCRB-CDITWBNYSA-N
MW200.33 g/mol
LogP4.84
Rot. Bonds5

About [(1E,3E)-2-methylocta-1,3-dienyl]benzene

[(1E,3E)-2-methylocta-1,3-dienyl]benzene (PubChem CID 15953217) has the molecular formula C15H20 and a molecular weight of 200.33 g/mol. Its IUPAC name is [(1E,3E)-2-methylocta-1,3-dienyl]benzene.

Molecular Properties

Compound Name[(1E,3E)-2-methylocta-1,3-dienyl]benzene
PubChem CID15953217
Molecular FormulaC15H20
Molecular Weight200.33 g/mol
Exact Mass200.16
IUPAC Name[(1E,3E)-2-methylocta-1,3-dienyl]benzene
SMILESCCCC/C=C/C(C)=C/c1ccccc1
InChIInChI=1S/C15H20/c1-3-4-5-7-10-14(2)13-15-11-8-6-9-12-15/h6-13H,3-5H2,1-2H3/b10-7+,14-13+
InChIKeyURZWVYNZPPUCRB-CDITWBNYSA-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 ≤ 500200.33
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

heptane;N-methylmethanamine;(E)-2-methyl-3-phenylprop-2-enal
CID 142518237
[(3Z)-octa-1,3-dienyl]benzene
CID 154692518
hept-2-enoic acid;2-methylbut-2-enoic acid;styrene
CID 67206823
trimethyl-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]silane
CID 10560699
hex-1-enylbenzene;prop-1-ene
CID 157442084
3-(3-hex-1-enylphenyl)prop-2-enoic acid
CID 57256540
(3E)-4-methyldeca-3,5-diene
CID 173452678
[(E)-octadec-1-enyl]benzene
CID 22722345
(2E,4E)-3-methylnona-2,4-dienoic acid
CID 87750367
3-[(E)-hex-1-enyl]phenol
CID 121007177
(1Z,3E)-N,2-dimethylocta-1,3-dien-1-amine
CID 138648930
1,2-bis[(1Z,3E)-3-methyl-4-phenylbuta-1,3-dienyl]benzene
CID 56654558

Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-2-methylocta-1,3-dienyl]benzene?
The IUPAC name of [(1E,3E)-2-methylocta-1,3-dienyl]benzene (CID 15953217) is [(1E,3E)-2-methylocta-1,3-dienyl]benzene.
What is the SMILES notation for [(1E,3E)-2-methylocta-1,3-dienyl]benzene?
The canonical SMILES for [(1E,3E)-2-methylocta-1,3-dienyl]benzene is CCCC/C=C/C(C)=C/c1ccccc1.
What is the InChIKey of [(1E,3E)-2-methylocta-1,3-dienyl]benzene?
The InChIKey is URZWVYNZPPUCRB-CDITWBNYSA-N. The full InChI is InChI=1S/C15H20/c1-3-4-5-7-10-14(2)13-15-11-8-6-9-12-15/h6-13H,3-5H2,1-2H3/b10-7+,14-13+.
What are the key properties of [(1E,3E)-2-methylocta-1,3-dienyl]benzene?
[(1E,3E)-2-methylocta-1,3-dienyl]benzene has a molecular weight of 200.33 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)-2-methylocta-1,3-dienyl]benzene is sourced from PubChem (CID 15953217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).