cyclobutadienylbenzene

C10H8 — CID 86042442

IUPACcyclobutadienylbenzene
SMILESC1=CC(c2ccccc2)=C1
InChIInChI=1S/C10H8/c1-2-5-9(6-3-1)10-7-4-8-10/h1-8H
InChIKeySWSMPDUAYCFIST-UHFFFAOYSA-N
MW128.17 g/mol
LogP2.64
Rot. Bonds1

About cyclobutadienylbenzene

cyclobutadienylbenzene (PubChem CID 86042442) has the molecular formula C10H8 and a molecular weight of 128.17 g/mol. Its IUPAC name is cyclobutadienylbenzene.

Molecular Properties

Compound Namecyclobutadienylbenzene
PubChem CID86042442
Molecular FormulaC10H8
Molecular Weight128.17 g/mol
Exact Mass128.06
IUPAC Namecyclobutadienylbenzene
SMILESC1=CC(c2ccccc2)=C1
InChIInChI=1S/C10H8/c1-2-5-9(6-3-1)10-7-4-8-10/h1-8H
InChIKeySWSMPDUAYCFIST-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclobutadienylbenzene?
The IUPAC name of cyclobutadienylbenzene (CID 86042442) is cyclobutadienylbenzene.
What is the SMILES notation for cyclobutadienylbenzene?
The canonical SMILES for cyclobutadienylbenzene is C1=CC(c2ccccc2)=C1.
What is the InChIKey of cyclobutadienylbenzene?
The InChIKey is SWSMPDUAYCFIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8/c1-2-5-9(6-3-1)10-7-4-8-10/h1-8H.
What are the key properties of cyclobutadienylbenzene?
cyclobutadienylbenzene has a molecular weight of 128.17 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutadienylbenzene is sourced from PubChem (CID 86042442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).