but-1-enylbenzene;but-3-enylbenzene

C20H24 — CID 161099431

IUPACbut-1-enylbenzene;but-3-enylbenzene
SMILESC=CCCc1ccccc1.CCC=Cc1ccccc1
InChIInChI=1S/2C10H12/c2*1-2-3-7-10-8-5-4-6-9-10/h3-9H,2H2,1H3;2,4-6,8-9H,1,3,7H2
InChIKeyUIFOOJOYNTUTTR-UHFFFAOYSA-N
MW264.41 g/mol
LogP5.91
Rot. Bonds5

About but-1-enylbenzene;but-3-enylbenzene

but-1-enylbenzene;but-3-enylbenzene (PubChem CID 161099431) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is but-1-enylbenzene;but-3-enylbenzene.

Molecular Properties

Compound Namebut-1-enylbenzene;but-3-enylbenzene
PubChem CID161099431
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Namebut-1-enylbenzene;but-3-enylbenzene
SMILESC=CCCc1ccccc1.CCC=Cc1ccccc1
InChIInChI=1S/2C10H12/c2*1-2-3-7-10-8-5-4-6-9-10/h3-9H,2H2,1H3;2,4-6,8-9H,1,3,7H2
InChIKeyUIFOOJOYNTUTTR-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze but-1-enylbenzene;but-3-enylbenzene 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

benzene;but-1-enylbenzene
CID 157481332
but-3-enylbenzene;silver
CID 174999453
1,4-bis[(E)-2-(4-but-3-enylphenyl)ethenyl]benzene
CID 19780599
but-3-enylbenzene;penta-1,4-diene;1,4-xylene
CID 145097362
[(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene
CID 142095527
but-1-enylbenzene;phenoxybenzene
CID 175609674
[(E)-3-but-3-enylsulfanylprop-1-enyl]benzene
CID 89232811
diphenylphosphane;[(Z)-hex-3-enyl]benzene;prop-1-ene
CID 143675254
[(E)-1-deuterio-4-phenylbut-3-enyl]benzene
CID 10375808
1-[(E)-but-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 22991602
hex-1-enylbenzene;prop-1-ene
CID 157442084
1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene
CID 102140920

Frequently Asked Questions

What is the IUPAC name of but-1-enylbenzene;but-3-enylbenzene?
The IUPAC name of but-1-enylbenzene;but-3-enylbenzene (CID 161099431) is but-1-enylbenzene;but-3-enylbenzene.
What is the SMILES notation for but-1-enylbenzene;but-3-enylbenzene?
The canonical SMILES for but-1-enylbenzene;but-3-enylbenzene is C=CCCc1ccccc1.CCC=Cc1ccccc1.
What is the InChIKey of but-1-enylbenzene;but-3-enylbenzene?
The InChIKey is UIFOOJOYNTUTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H12/c2*1-2-3-7-10-8-5-4-6-9-10/h3-9H,2H2,1H3;2,4-6,8-9H,1,3,7H2.
What are the key properties of but-1-enylbenzene;but-3-enylbenzene?
but-1-enylbenzene;but-3-enylbenzene has a molecular weight of 264.41 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-enylbenzene;but-3-enylbenzene is sourced from PubChem (CID 161099431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).