[cyclobutyl(cyclopropylidene)methyl]cyclobutane

C12H18 — CID 15444459

IUPAC[cyclobutyl(cyclopropylidene)methyl]cyclobutane
SMILESC1CC(C(=C2CC2)C2CCC2)C1
InChIInChI=1S/C12H18/c1-3-9(4-1)12(11-7-8-11)10-5-2-6-10/h9-10H,1-8H2
InChIKeyWZIMCCGPBACHLI-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.68
Rot. Bonds2

About [cyclobutyl(cyclopropylidene)methyl]cyclobutane

[cyclobutyl(cyclopropylidene)methyl]cyclobutane (PubChem CID 15444459) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is [cyclobutyl(cyclopropylidene)methyl]cyclobutane.

Molecular Properties

Compound Name[cyclobutyl(cyclopropylidene)methyl]cyclobutane
PubChem CID15444459
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name[cyclobutyl(cyclopropylidene)methyl]cyclobutane
SMILESC1CC(C(=C2CC2)C2CCC2)C1
InChIInChI=1S/C12H18/c1-3-9(4-1)12(11-7-8-11)10-5-2-6-10/h9-10H,1-8H2
InChIKeyWZIMCCGPBACHLI-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.68
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 [cyclobutyl(cyclopropylidene)methyl]cyclobutane?
The IUPAC name of [cyclobutyl(cyclopropylidene)methyl]cyclobutane (CID 15444459) is [cyclobutyl(cyclopropylidene)methyl]cyclobutane.
What is the SMILES notation for [cyclobutyl(cyclopropylidene)methyl]cyclobutane?
The canonical SMILES for [cyclobutyl(cyclopropylidene)methyl]cyclobutane is C1CC(C(=C2CC2)C2CCC2)C1.
What is the InChIKey of [cyclobutyl(cyclopropylidene)methyl]cyclobutane?
The InChIKey is WZIMCCGPBACHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-3-9(4-1)12(11-7-8-11)10-5-2-6-10/h9-10H,1-8H2.
What are the key properties of [cyclobutyl(cyclopropylidene)methyl]cyclobutane?
[cyclobutyl(cyclopropylidene)methyl]cyclobutane has a molecular weight of 162.28 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclobutyl(cyclopropylidene)methyl]cyclobutane is sourced from PubChem (CID 15444459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).