5-ethylhepta-2,4-dien-2-ylbenzene

C15H20 — CID 91182032

IUPAC5-ethylhepta-2,4-dien-2-ylbenzene
SMILESCCC(=CC=C(C)c1ccccc1)CC
InChIInChI=1S/C15H20/c1-4-14(5-2)12-11-13(3)15-9-7-6-8-10-15/h6-12H,4-5H2,1-3H3
InChIKeyMATFJBNBAUQMFC-UHFFFAOYSA-N
MW200.33 g/mol
LogP4.84
Rot. Bonds4

About 5-ethylhepta-2,4-dien-2-ylbenzene

5-ethylhepta-2,4-dien-2-ylbenzene (PubChem CID 91182032) has the molecular formula C15H20 and a molecular weight of 200.33 g/mol. Its IUPAC name is 5-ethylhepta-2,4-dien-2-ylbenzene.

Molecular Properties

Compound Name5-ethylhepta-2,4-dien-2-ylbenzene
PubChem CID91182032
Molecular FormulaC15H20
Molecular Weight200.33 g/mol
Exact Mass200.16
IUPAC Name5-ethylhepta-2,4-dien-2-ylbenzene
SMILESCCC(=CC=C(C)c1ccccc1)CC
InChIInChI=1S/C15H20/c1-4-14(5-2)12-11-13(3)15-9-7-6-8-10-15/h6-12H,4-5H2,1-3H3
InChIKeyMATFJBNBAUQMFC-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
CID 143180234
[(E)-but-2-en-2-yl]benzene;ethane;propane
CID 144534728
(2E,4Z)-2-butyl-5-phenylhexa-2,4-dienoic acid
CID 166794691
4-methylhex-2-en-2-ylbenzene
CID 76543432
5-phenylhexa-2,4-dienal
CID 71444454
[(2E,4Z)-5-cyclohexylhexa-2,4-dien-2-yl]benzene
CID 177407839
1-bromoprop-1-en-2-ylbenzene
CID 5152757
[(E)-1-chloroprop-1-en-2-yl]benzene
CID 12504275
1-iodoprop-1-en-2-ylbenzene
CID 54065087
ethane;(Z)-3-phenylbut-2-en-1-imine
CID 142990186
[(Z)-4-bromobut-2-en-2-yl]benzene
CID 68809722
N-hexyl-3-phenylbut-2-en-1-imine
CID 66742213

Frequently Asked Questions

What is the IUPAC name of 5-ethylhepta-2,4-dien-2-ylbenzene?
The IUPAC name of 5-ethylhepta-2,4-dien-2-ylbenzene (CID 91182032) is 5-ethylhepta-2,4-dien-2-ylbenzene.
What is the SMILES notation for 5-ethylhepta-2,4-dien-2-ylbenzene?
The canonical SMILES for 5-ethylhepta-2,4-dien-2-ylbenzene is CCC(=CC=C(C)c1ccccc1)CC.
What is the InChIKey of 5-ethylhepta-2,4-dien-2-ylbenzene?
The InChIKey is MATFJBNBAUQMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-4-14(5-2)12-11-13(3)15-9-7-6-8-10-15/h6-12H,4-5H2,1-3H3.
What are the key properties of 5-ethylhepta-2,4-dien-2-ylbenzene?
5-ethylhepta-2,4-dien-2-ylbenzene has a molecular weight of 200.33 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylhepta-2,4-dien-2-ylbenzene is sourced from PubChem (CID 91182032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).