but-3-enylbenzene

C10H12 — CID 13033

IUPACbut-3-enylbenzene
SMILESC=CCCc1ccccc1
InChIInChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2,4-6,8-9H,1,3,7H2
InChIKeyPBGVMIDTGGTBFS-UHFFFAOYSA-N
MW132.21 g/mol
LogP2.81
Rot. Bonds3

About but-3-enylbenzene

but-3-enylbenzene (PubChem CID 13033) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is but-3-enylbenzene.

Molecular Properties

Compound Namebut-3-enylbenzene
PubChem CID13033
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Namebut-3-enylbenzene
SMILESC=CCCc1ccccc1
InChIInChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2,4-6,8-9H,1,3,7H2
InChIKeyPBGVMIDTGGTBFS-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-3-enylbenzene?
The IUPAC name of but-3-enylbenzene (CID 13033) is but-3-enylbenzene.
What is the SMILES notation for but-3-enylbenzene?
The canonical SMILES for but-3-enylbenzene is C=CCCc1ccccc1.
What is the InChIKey of but-3-enylbenzene?
The InChIKey is PBGVMIDTGGTBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2,4-6,8-9H,1,3,7H2.
What are the key properties of but-3-enylbenzene?
but-3-enylbenzene has a molecular weight of 132.21 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enylbenzene is sourced from PubChem (CID 13033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).