1-[2-(2-tert-butylcyclopropyl)ethenyl]-2-methylcyclobutane

C14H24 — CID 123444911

IUPAC1-[2-(2-tert-butylcyclopropyl)ethenyl]-2-methylcyclobutane
SMILESCC1CCC1C=CC1CC1C(C)(C)C
InChIInChI=1S/C14H24/c1-10-5-6-11(10)7-8-12-9-13(12)14(2,3)4/h7-8,10-13H,5-6,9H2,1-4H3
InChIKeyVLFXWDSEIPPPHI-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.27
Rot. Bonds2

About 1-[2-(2-tert-butylcyclopropyl)ethenyl]-2-methylcyclobutane

1-[2-(2-tert-butylcyclopropyl)ethenyl]-2-methylcyclobutane (PubChem CID 123444911) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1-[2-(2-tert-butylcyclopropyl)ethenyl]-2-methylcyclobutane.

Molecular Properties

Compound Name1-[2-(2-tert-butylcyclopropyl)ethenyl]-2-methylcyclobutane
PubChem CID123444911
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1-[2-(2-tert-butylcyclopropyl)ethenyl]-2-methylcyclobutane
SMILESCC1CCC1C=CC1CC1C(C)(C)C
InChIInChI=1S/C14H24/c1-10-5-6-11(10)7-8-12-9-13(12)14(2,3)4/h7-8,10-13H,5-6,9H2,1-4H3
InChIKeyVLFXWDSEIPPPHI-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[2-(2-tert-butylcyclopropyl)ethenyl]-2-methylcyclobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-tert-butylcyclopropyl)ethenyl]-2-methylcyclobutane?
The IUPAC name of 1-[2-(2-tert-butylcyclopropyl)ethenyl]-2-methylcyclobutane (CID 123444911) is 1-[2-(2-tert-butylcyclopropyl)ethenyl]-2-methylcyclobutane.
What is the SMILES notation for 1-[2-(2-tert-butylcyclopropyl)ethenyl]-2-methylcyclobutane?
The canonical SMILES for 1-[2-(2-tert-butylcyclopropyl)ethenyl]-2-methylcyclobutane is CC1CCC1C=CC1CC1C(C)(C)C.
What is the InChIKey of 1-[2-(2-tert-butylcyclopropyl)ethenyl]-2-methylcyclobutane?
The InChIKey is VLFXWDSEIPPPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-10-5-6-11(10)7-8-12-9-13(12)14(2,3)4/h7-8,10-13H,5-6,9H2,1-4H3.
What are the key properties of 1-[2-(2-tert-butylcyclopropyl)ethenyl]-2-methylcyclobutane?
1-[2-(2-tert-butylcyclopropyl)ethenyl]-2-methylcyclobutane has a molecular weight of 192.35 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-tert-butylcyclopropyl)ethenyl]-2-methylcyclobutane is sourced from PubChem (CID 123444911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).