4-(3-ethylpentyl)-1-[(3E)-2-methylhexa-1,3,5-trien-3-yl]-2-propylbenzene

C23H34 — CID 152948360

IUPAC4-(3-ethylpentyl)-1-[(3E)-2-methylhexa-1,3,5-trien-3-yl]-2-propylbenzene
SMILESC=C/C=C(\C(=C)C)c1ccc(CCC(CC)CC)cc1CCC
InChIInChI=1S/C23H34/c1-7-11-21-17-20(14-13-19(9-3)10-4)15-16-23(21)22(12-8-2)18(5)6/h8,12,15-17,19H,2,5,7,9-11,13-14H2,1,3-4,6H3/b22-12+
InChIKeyUOEUQCKYDZFNAB-WSDLNYQXSA-N
MW310.53 g/mol
LogP7.15
Rot. Bonds10

About 4-(3-ethylpentyl)-1-[(3E)-2-methylhexa-1,3,5-trien-3-yl]-2-propylbenzene

4-(3-ethylpentyl)-1-[(3E)-2-methylhexa-1,3,5-trien-3-yl]-2-propylbenzene (PubChem CID 152948360) has the molecular formula C23H34 and a molecular weight of 310.53 g/mol. Its IUPAC name is 4-(3-ethylpentyl)-1-[(3E)-2-methylhexa-1,3,5-trien-3-yl]-2-propylbenzene.

Molecular Properties

Compound Name4-(3-ethylpentyl)-1-[(3E)-2-methylhexa-1,3,5-trien-3-yl]-2-propylbenzene
PubChem CID152948360
Molecular FormulaC23H34
Molecular Weight310.53 g/mol
Exact Mass310.27
IUPAC Name4-(3-ethylpentyl)-1-[(3E)-2-methylhexa-1,3,5-trien-3-yl]-2-propylbenzene
SMILESC=C/C=C(\C(=C)C)c1ccc(CCC(CC)CC)cc1CCC
InChIInChI=1S/C23H34/c1-7-11-21-17-20(14-13-19(9-3)10-4)15-16-23(21)22(12-8-2)18(5)6/h8,12,15-17,19H,2,5,7,9-11,13-14H2,1,3-4,6H3/b22-12+
InChIKeyUOEUQCKYDZFNAB-WSDLNYQXSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-(3-ethylpentyl)-1-[(3E)-2-methylhexa-1,3,5-trien-3-yl]-2-propylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpentyl)-1-[(3E)-2-methylhexa-1,3,5-trien-3-yl]-2-propylbenzene?
The IUPAC name of 4-(3-ethylpentyl)-1-[(3E)-2-methylhexa-1,3,5-trien-3-yl]-2-propylbenzene (CID 152948360) is 4-(3-ethylpentyl)-1-[(3E)-2-methylhexa-1,3,5-trien-3-yl]-2-propylbenzene.
What is the SMILES notation for 4-(3-ethylpentyl)-1-[(3E)-2-methylhexa-1,3,5-trien-3-yl]-2-propylbenzene?
The canonical SMILES for 4-(3-ethylpentyl)-1-[(3E)-2-methylhexa-1,3,5-trien-3-yl]-2-propylbenzene is C=C/C=C(\C(=C)C)c1ccc(CCC(CC)CC)cc1CCC.
What is the InChIKey of 4-(3-ethylpentyl)-1-[(3E)-2-methylhexa-1,3,5-trien-3-yl]-2-propylbenzene?
The InChIKey is UOEUQCKYDZFNAB-WSDLNYQXSA-N. The full InChI is InChI=1S/C23H34/c1-7-11-21-17-20(14-13-19(9-3)10-4)15-16-23(21)22(12-8-2)18(5)6/h8,12,15-17,19H,2,5,7,9-11,13-14H2,1,3-4,6H3/b22-12+.
What are the key properties of 4-(3-ethylpentyl)-1-[(3E)-2-methylhexa-1,3,5-trien-3-yl]-2-propylbenzene?
4-(3-ethylpentyl)-1-[(3E)-2-methylhexa-1,3,5-trien-3-yl]-2-propylbenzene has a molecular weight of 310.53 g/mol, XLogP of 7.15, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpentyl)-1-[(3E)-2-methylhexa-1,3,5-trien-3-yl]-2-propylbenzene is sourced from PubChem (CID 152948360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).