3-ethylidenehepta-4,6-dien-2-ylbenzene

C15H18 — CID 123397976

IUPAC3-ethylidenehepta-4,6-dien-2-ylbenzene
SMILESC=CC=CC(=CC)C(C)c1ccccc1
InChIInChI=1S/C15H18/c1-4-6-10-14(5-2)13(3)15-11-8-7-9-12-15/h4-13H,1H2,2-3H3
InChIKeyPPPIZDHLSXZCEK-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.48
Rot. Bonds4

About 3-ethylidenehepta-4,6-dien-2-ylbenzene

3-ethylidenehepta-4,6-dien-2-ylbenzene (PubChem CID 123397976) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-ethylidenehepta-4,6-dien-2-ylbenzene.

Molecular Properties

Compound Name3-ethylidenehepta-4,6-dien-2-ylbenzene
PubChem CID123397976
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name3-ethylidenehepta-4,6-dien-2-ylbenzene
SMILESC=CC=CC(=CC)C(C)c1ccccc1
InChIInChI=1S/C15H18/c1-4-6-10-14(5-2)13(3)15-11-8-7-9-12-15/h4-13H,1H2,2-3H3
InChIKeyPPPIZDHLSXZCEK-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.48
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 3-ethylidenehepta-4,6-dien-2-ylbenzene?
The IUPAC name of 3-ethylidenehepta-4,6-dien-2-ylbenzene (CID 123397976) is 3-ethylidenehepta-4,6-dien-2-ylbenzene.
What is the SMILES notation for 3-ethylidenehepta-4,6-dien-2-ylbenzene?
The canonical SMILES for 3-ethylidenehepta-4,6-dien-2-ylbenzene is C=CC=CC(=CC)C(C)c1ccccc1.
What is the InChIKey of 3-ethylidenehepta-4,6-dien-2-ylbenzene?
The InChIKey is PPPIZDHLSXZCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-4-6-10-14(5-2)13(3)15-11-8-7-9-12-15/h4-13H,1H2,2-3H3.
What are the key properties of 3-ethylidenehepta-4,6-dien-2-ylbenzene?
3-ethylidenehepta-4,6-dien-2-ylbenzene has a molecular weight of 198.31 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidenehepta-4,6-dien-2-ylbenzene is sourced from PubChem (CID 123397976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).