3-methylbutylidenecyclobutane

C9H16 — CID 123644555

IUPAC3-methylbutylidenecyclobutane
SMILESCC(C)CC=C1CCC1
InChIInChI=1S/C9H16/c1-8(2)6-7-9-4-3-5-9/h7-8H,3-6H2,1-2H3
InChIKeyNJMHPZBQVNYCOT-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds2

About 3-methylbutylidenecyclobutane

3-methylbutylidenecyclobutane (PubChem CID 123644555) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 3-methylbutylidenecyclobutane.

Molecular Properties

Compound Name3-methylbutylidenecyclobutane
PubChem CID123644555
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name3-methylbutylidenecyclobutane
SMILESCC(C)CC=C1CCC1
InChIInChI=1S/C9H16/c1-8(2)6-7-9-4-3-5-9/h7-8H,3-6H2,1-2H3
InChIKeyNJMHPZBQVNYCOT-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.14
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 3-methylbutylidenecyclobutane?
The IUPAC name of 3-methylbutylidenecyclobutane (CID 123644555) is 3-methylbutylidenecyclobutane.
What is the SMILES notation for 3-methylbutylidenecyclobutane?
The canonical SMILES for 3-methylbutylidenecyclobutane is CC(C)CC=C1CCC1.
What is the InChIKey of 3-methylbutylidenecyclobutane?
The InChIKey is NJMHPZBQVNYCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-8(2)6-7-9-4-3-5-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-methylbutylidenecyclobutane?
3-methylbutylidenecyclobutane has a molecular weight of 124.23 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutylidenecyclobutane is sourced from PubChem (CID 123644555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).