1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene

C24H32 — CID 158873338

IUPAC1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene
SMILESC=Cc1ccc(CCCC)cc1.C=Cc1ccccc1CCCC
InChIInChI=1S/2C12H16/c1-3-5-8-12-10-7-6-9-11(12)4-2;1-3-5-6-12-9-7-11(4-2)8-10-12/h4,6-7,9-10H,2-3,5,8H2,1H3;4,7-10H,2-3,5-6H2,1H3
InChIKeyJCCSWGUEWXUKDQ-UHFFFAOYSA-N
MW320.52 g/mol
LogP7.34
Rot. Bonds8

About 1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene

1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene (PubChem CID 158873338) has the molecular formula C24H32 and a molecular weight of 320.52 g/mol. Its IUPAC name is 1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene.

Molecular Properties

Compound Name1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene
PubChem CID158873338
Molecular FormulaC24H32
Molecular Weight320.52 g/mol
Exact Mass320.25
IUPAC Name1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene
SMILESC=Cc1ccc(CCCC)cc1.C=Cc1ccccc1CCCC
InChIInChI=1S/2C12H16/c1-3-5-8-12-10-7-6-9-11(12)4-2;1-3-5-6-12-9-7-11(4-2)8-10-12/h4,6-7,9-10H,2-3,5,8H2,1H3;4,7-10H,2-3,5-6H2,1H3
InChIKeyJCCSWGUEWXUKDQ-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene 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

1-ethenyl-2-pentylbenzene
CID 22171756
acetonitrile;1-butyl-2-ethenylbenzene
CID 18674742
acetic acid;1-butyl-2-ethenylbenzene
CID 174903313
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-hexylbenzene
CID 21225742
2-[4-(4-butylphenyl)butyl]benzaldehyde
CID 19847933
1,4-dibutyl-2-ethenylbenzene
CID 140596757
1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene
CID 22572053
1,2-bis(ethenyl)benzene;3-chloroprop-1-enylbenzene;1-ethenyl-4-octylbenzene
CID 70369539
1,2-bis(ethenyl)benzene;hexylbenzene
CID 175593213
1-butyl-2-chloro-3-ethenylbenzene
CID 174299293
2-butylbenzaldehyde;terephthalaldehyde
CID 174801051

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene?
The IUPAC name of 1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene (CID 158873338) is 1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene.
What is the SMILES notation for 1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene?
The canonical SMILES for 1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene is C=Cc1ccc(CCCC)cc1.C=Cc1ccccc1CCCC.
What is the InChIKey of 1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene?
The InChIKey is JCCSWGUEWXUKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H16/c1-3-5-8-12-10-7-6-9-11(12)4-2;1-3-5-6-12-9-7-11(4-2)8-10-12/h4,6-7,9-10H,2-3,5,8H2,1H3;4,7-10H,2-3,5-6H2,1H3.
What are the key properties of 1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene?
1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene has a molecular weight of 320.52 g/mol, XLogP of 7.34, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene is sourced from PubChem (CID 158873338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).