1-propan-2-ylcyclobutene

C7H12 — CID 14593258

IUPAC1-propan-2-ylcyclobutene
SMILESCC(C)C1=CCC1
InChIInChI=1S/C7H12/c1-6(2)7-4-3-5-7/h4,6H,3,5H2,1-2H3
InChIKeyHXHIATTUBFNQHT-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.36
Rot. Bonds1

About 1-propan-2-ylcyclobutene

1-propan-2-ylcyclobutene (PubChem CID 14593258) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is 1-propan-2-ylcyclobutene.

Molecular Properties

Compound Name1-propan-2-ylcyclobutene
PubChem CID14593258
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name1-propan-2-ylcyclobutene
SMILESCC(C)C1=CCC1
InChIInChI=1S/C7H12/c1-6(2)7-4-3-5-7/h4,6H,3,5H2,1-2H3
InChIKeyHXHIATTUBFNQHT-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.36
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-propan-2-ylcyclobutene?
The IUPAC name of 1-propan-2-ylcyclobutene (CID 14593258) is 1-propan-2-ylcyclobutene.
What is the SMILES notation for 1-propan-2-ylcyclobutene?
The canonical SMILES for 1-propan-2-ylcyclobutene is CC(C)C1=CCC1.
What is the InChIKey of 1-propan-2-ylcyclobutene?
The InChIKey is HXHIATTUBFNQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-6(2)7-4-3-5-7/h4,6H,3,5H2,1-2H3.
What are the key properties of 1-propan-2-ylcyclobutene?
1-propan-2-ylcyclobutene has a molecular weight of 96.17 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylcyclobutene is sourced from PubChem (CID 14593258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).