1-but-3-enyl-4-(cyclobuten-1-yl)benzene

C14H16 — CID 57022905

IUPAC1-but-3-enyl-4-(cyclobuten-1-yl)benzene
SMILESC=CCCc1ccc(C2=CCC2)cc1
InChIInChI=1S/C14H16/c1-2-3-5-12-8-10-14(11-9-12)13-6-4-7-13/h2,6,8-11H,1,3-5,7H2
InChIKeyMNZOCWOOOWGGND-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.98
Rot. Bonds4

About 1-but-3-enyl-4-(cyclobuten-1-yl)benzene

1-but-3-enyl-4-(cyclobuten-1-yl)benzene (PubChem CID 57022905) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-but-3-enyl-4-(cyclobuten-1-yl)benzene.

Molecular Properties

Compound Name1-but-3-enyl-4-(cyclobuten-1-yl)benzene
PubChem CID57022905
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name1-but-3-enyl-4-(cyclobuten-1-yl)benzene
SMILESC=CCCc1ccc(C2=CCC2)cc1
InChIInChI=1S/C14H16/c1-2-3-5-12-8-10-14(11-9-12)13-6-4-7-13/h2,6,8-11H,1,3-5,7H2
InChIKeyMNZOCWOOOWGGND-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.98
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 1-but-3-enyl-4-(cyclobuten-1-yl)benzene?
The IUPAC name of 1-but-3-enyl-4-(cyclobuten-1-yl)benzene (CID 57022905) is 1-but-3-enyl-4-(cyclobuten-1-yl)benzene.
What is the SMILES notation for 1-but-3-enyl-4-(cyclobuten-1-yl)benzene?
The canonical SMILES for 1-but-3-enyl-4-(cyclobuten-1-yl)benzene is C=CCCc1ccc(C2=CCC2)cc1.
What is the InChIKey of 1-but-3-enyl-4-(cyclobuten-1-yl)benzene?
The InChIKey is MNZOCWOOOWGGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-2-3-5-12-8-10-14(11-9-12)13-6-4-7-13/h2,6,8-11H,1,3-5,7H2.
What are the key properties of 1-but-3-enyl-4-(cyclobuten-1-yl)benzene?
1-but-3-enyl-4-(cyclobuten-1-yl)benzene has a molecular weight of 184.28 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4-(cyclobuten-1-yl)benzene is sourced from PubChem (CID 57022905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).