5-methylhepta-3,5-dien-3-ylbenzene

C14H18 — CID 123274191

IUPAC5-methylhepta-3,5-dien-3-ylbenzene
SMILESCC=C(C)C=C(CC)c1ccccc1
InChIInChI=1S/C14H18/c1-4-12(3)11-13(5-2)14-9-7-6-8-10-14/h4,6-11H,5H2,1-3H3
InChIKeyZDIHEYKVWZGVKG-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.45
Rot. Bonds3

About 5-methylhepta-3,5-dien-3-ylbenzene

5-methylhepta-3,5-dien-3-ylbenzene (PubChem CID 123274191) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 5-methylhepta-3,5-dien-3-ylbenzene.

Molecular Properties

Compound Name5-methylhepta-3,5-dien-3-ylbenzene
PubChem CID123274191
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name5-methylhepta-3,5-dien-3-ylbenzene
SMILESCC=C(C)C=C(CC)c1ccccc1
InChIInChI=1S/C14H18/c1-4-12(3)11-13(5-2)14-9-7-6-8-10-14/h4,6-11H,5H2,1-3H3
InChIKeyZDIHEYKVWZGVKG-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methylhepta-3,5-dien-3-ylbenzene?
The IUPAC name of 5-methylhepta-3,5-dien-3-ylbenzene (CID 123274191) is 5-methylhepta-3,5-dien-3-ylbenzene.
What is the SMILES notation for 5-methylhepta-3,5-dien-3-ylbenzene?
The canonical SMILES for 5-methylhepta-3,5-dien-3-ylbenzene is CC=C(C)C=C(CC)c1ccccc1.
What is the InChIKey of 5-methylhepta-3,5-dien-3-ylbenzene?
The InChIKey is ZDIHEYKVWZGVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-4-12(3)11-13(5-2)14-9-7-6-8-10-14/h4,6-11H,5H2,1-3H3.
What are the key properties of 5-methylhepta-3,5-dien-3-ylbenzene?
5-methylhepta-3,5-dien-3-ylbenzene has a molecular weight of 186.30 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhepta-3,5-dien-3-ylbenzene is sourced from PubChem (CID 123274191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).