1-[(E)-4-methylpent-1-enyl]-3-[(E)-pent-1-enyl]benzene

C17H24 — CID 141236827

IUPAC1-[(E)-4-methylpent-1-enyl]-3-[(E)-pent-1-enyl]benzene
SMILESCCC/C=C/c1cccc(/C=C/CC(C)C)c1
InChIInChI=1S/C17H24/c1-4-5-6-10-16-12-8-13-17(14-16)11-7-9-15(2)3/h6-8,10-15H,4-5,9H2,1-3H3/b10-6+,11-7+
InChIKeyNUFNMTVWJWLFLE-JMQWPVDRSA-N
MW228.38 g/mol
LogP5.56
Rot. Bonds6

About 1-[(E)-4-methylpent-1-enyl]-3-[(E)-pent-1-enyl]benzene

1-[(E)-4-methylpent-1-enyl]-3-[(E)-pent-1-enyl]benzene (PubChem CID 141236827) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[(E)-4-methylpent-1-enyl]-3-[(E)-pent-1-enyl]benzene.

Molecular Properties

Compound Name1-[(E)-4-methylpent-1-enyl]-3-[(E)-pent-1-enyl]benzene
PubChem CID141236827
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name1-[(E)-4-methylpent-1-enyl]-3-[(E)-pent-1-enyl]benzene
SMILESCCC/C=C/c1cccc(/C=C/CC(C)C)c1
InChIInChI=1S/C17H24/c1-4-5-6-10-16-12-8-13-17(14-16)11-7-9-15(2)3/h6-8,10-15H,4-5,9H2,1-3H3/b10-6+,11-7+
InChIKeyNUFNMTVWJWLFLE-JMQWPVDRSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[(E)-4-methylpent-1-enyl]-3-[(E)-pent-1-enyl]benzene with MolForge

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

Launch Full Analysis

Related Compounds

Toluene
CID 1140
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
P-Cymene
CID 7463
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406
Butylbenzene
CID 7705
1-Ethenyl-4-methylbenzene
CID 12161
Pentylbenzene
CID 10864

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-methylpent-1-enyl]-3-[(E)-pent-1-enyl]benzene?
The IUPAC name of 1-[(E)-4-methylpent-1-enyl]-3-[(E)-pent-1-enyl]benzene (CID 141236827) is 1-[(E)-4-methylpent-1-enyl]-3-[(E)-pent-1-enyl]benzene.
What is the SMILES notation for 1-[(E)-4-methylpent-1-enyl]-3-[(E)-pent-1-enyl]benzene?
The canonical SMILES for 1-[(E)-4-methylpent-1-enyl]-3-[(E)-pent-1-enyl]benzene is CCC/C=C/c1cccc(/C=C/CC(C)C)c1.
What is the InChIKey of 1-[(E)-4-methylpent-1-enyl]-3-[(E)-pent-1-enyl]benzene?
The InChIKey is NUFNMTVWJWLFLE-JMQWPVDRSA-N. The full InChI is InChI=1S/C17H24/c1-4-5-6-10-16-12-8-13-17(14-16)11-7-9-15(2)3/h6-8,10-15H,4-5,9H2,1-3H3/b10-6+,11-7+.
What are the key properties of 1-[(E)-4-methylpent-1-enyl]-3-[(E)-pent-1-enyl]benzene?
1-[(E)-4-methylpent-1-enyl]-3-[(E)-pent-1-enyl]benzene has a molecular weight of 228.38 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-methylpent-1-enyl]-3-[(E)-pent-1-enyl]benzene is sourced from PubChem (CID 141236827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).