butan-2-ylidenecyclobutane

C8H14 — CID 91584924

IUPACbutan-2-ylidenecyclobutane
SMILESCCC(C)=C1CCC1
InChIInChI=1S/C8H14/c1-3-7(2)8-5-4-6-8/h3-6H2,1-2H3
InChIKeyNDZPIQNXCNOARR-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.90
Rot. Bonds1

About butan-2-ylidenecyclobutane

butan-2-ylidenecyclobutane (PubChem CID 91584924) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is butan-2-ylidenecyclobutane.

Molecular Properties

Compound Namebutan-2-ylidenecyclobutane
PubChem CID91584924
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Namebutan-2-ylidenecyclobutane
SMILESCCC(C)=C1CCC1
InChIInChI=1S/C8H14/c1-3-7(2)8-5-4-6-8/h3-6H2,1-2H3
InChIKeyNDZPIQNXCNOARR-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.90
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 butan-2-ylidenecyclobutane?
The IUPAC name of butan-2-ylidenecyclobutane (CID 91584924) is butan-2-ylidenecyclobutane.
What is the SMILES notation for butan-2-ylidenecyclobutane?
The canonical SMILES for butan-2-ylidenecyclobutane is CCC(C)=C1CCC1.
What is the InChIKey of butan-2-ylidenecyclobutane?
The InChIKey is NDZPIQNXCNOARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-3-7(2)8-5-4-6-8/h3-6H2,1-2H3.
What are the key properties of butan-2-ylidenecyclobutane?
butan-2-ylidenecyclobutane has a molecular weight of 110.20 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylidenecyclobutane is sourced from PubChem (CID 91584924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).