1-[(1E,3Z)-2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-2,3-dimethylnaphthalene

C25H26 — CID 142129554

IUPAC1-[(1E,3Z)-2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-2,3-dimethylnaphthalene
SMILESCC(=C/c1ccccc1C)/C(C)=C/c1c(C)c(C)cc2ccccc12
InChIInChI=1S/C25H26/c1-17-10-6-7-11-22(17)14-18(2)19(3)16-25-21(5)20(4)15-23-12-8-9-13-24(23)25/h6-16H,1-5H3/b18-14-,19-16+
InChIKeyOARDXDZWUYFABH-PVOXQVLESA-N
MW326.48 g/mol
LogP7.27
Rot. Bonds3

About 1-[(1E,3Z)-2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-2,3-dimethylnaphthalene

1-[(1E,3Z)-2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-2,3-dimethylnaphthalene (PubChem CID 142129554) has the molecular formula C25H26 and a molecular weight of 326.48 g/mol. Its IUPAC name is 1-[(1E,3Z)-2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-2,3-dimethylnaphthalene.

Molecular Properties

Compound Name1-[(1E,3Z)-2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-2,3-dimethylnaphthalene
PubChem CID142129554
Molecular FormulaC25H26
Molecular Weight326.48 g/mol
Exact Mass326.20
IUPAC Name1-[(1E,3Z)-2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-2,3-dimethylnaphthalene
SMILESCC(=C/c1ccccc1C)/C(C)=C/c1c(C)c(C)cc2ccccc12
InChIInChI=1S/C25H26/c1-17-10-6-7-11-22(17)14-18(2)19(3)16-25-21(5)20(4)15-23-12-8-9-13-24(23)25/h6-16H,1-5H3/b18-14-,19-16+
InChIKeyOARDXDZWUYFABH-PVOXQVLESA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 57.27
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 1-[(1E,3Z)-2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-2,3-dimethylnaphthalene?
The IUPAC name of 1-[(1E,3Z)-2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-2,3-dimethylnaphthalene (CID 142129554) is 1-[(1E,3Z)-2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-2,3-dimethylnaphthalene.
What is the SMILES notation for 1-[(1E,3Z)-2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-2,3-dimethylnaphthalene?
The canonical SMILES for 1-[(1E,3Z)-2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-2,3-dimethylnaphthalene is CC(=C/c1ccccc1C)/C(C)=C/c1c(C)c(C)cc2ccccc12.
What is the InChIKey of 1-[(1E,3Z)-2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-2,3-dimethylnaphthalene?
The InChIKey is OARDXDZWUYFABH-PVOXQVLESA-N. The full InChI is InChI=1S/C25H26/c1-17-10-6-7-11-22(17)14-18(2)19(3)16-25-21(5)20(4)15-23-12-8-9-13-24(23)25/h6-16H,1-5H3/b18-14-,19-16+.
What are the key properties of 1-[(1E,3Z)-2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-2,3-dimethylnaphthalene?
1-[(1E,3Z)-2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-2,3-dimethylnaphthalene has a molecular weight of 326.48 g/mol, XLogP of 7.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,3Z)-2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-2,3-dimethylnaphthalene is sourced from PubChem (CID 142129554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).