(3,4-dimethyl-4-phenylhexa-1,5-dien-3-yl)benzene

C20H22 — CID 166095951

IUPAC(3,4-dimethyl-4-phenylhexa-1,5-dien-3-yl)benzene
SMILESC=CC(C)(c1ccccc1)C(C)(C=C)c1ccccc1
InChIInChI=1S/C20H22/c1-5-19(3,17-13-9-7-10-14-17)20(4,6-2)18-15-11-8-12-16-18/h5-16H,1-2H2,3-4H3
InChIKeyOYPULXQJYVOQBQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.27
Rot. Bonds5

About (3,4-dimethyl-4-phenylhexa-1,5-dien-3-yl)benzene

(3,4-dimethyl-4-phenylhexa-1,5-dien-3-yl)benzene (PubChem CID 166095951) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is (3,4-dimethyl-4-phenylhexa-1,5-dien-3-yl)benzene.

Molecular Properties

Compound Name(3,4-dimethyl-4-phenylhexa-1,5-dien-3-yl)benzene
PubChem CID166095951
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name(3,4-dimethyl-4-phenylhexa-1,5-dien-3-yl)benzene
SMILESC=CC(C)(c1ccccc1)C(C)(C=C)c1ccccc1
InChIInChI=1S/C20H22/c1-5-19(3,17-13-9-7-10-14-17)20(4,6-2)18-15-11-8-12-16-18/h5-16H,1-2H2,3-4H3
InChIKeyOYPULXQJYVOQBQ-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethyl-4-phenylhexa-1,5-dien-3-yl)benzene?
The IUPAC name of (3,4-dimethyl-4-phenylhexa-1,5-dien-3-yl)benzene (CID 166095951) is (3,4-dimethyl-4-phenylhexa-1,5-dien-3-yl)benzene.
What is the SMILES notation for (3,4-dimethyl-4-phenylhexa-1,5-dien-3-yl)benzene?
The canonical SMILES for (3,4-dimethyl-4-phenylhexa-1,5-dien-3-yl)benzene is C=CC(C)(c1ccccc1)C(C)(C=C)c1ccccc1.
What is the InChIKey of (3,4-dimethyl-4-phenylhexa-1,5-dien-3-yl)benzene?
The InChIKey is OYPULXQJYVOQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-5-19(3,17-13-9-7-10-14-17)20(4,6-2)18-15-11-8-12-16-18/h5-16H,1-2H2,3-4H3.
What are the key properties of (3,4-dimethyl-4-phenylhexa-1,5-dien-3-yl)benzene?
(3,4-dimethyl-4-phenylhexa-1,5-dien-3-yl)benzene has a molecular weight of 262.40 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethyl-4-phenylhexa-1,5-dien-3-yl)benzene is sourced from PubChem (CID 166095951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).