2-(2,2-dimethylpropyl)spiro[2.4]heptane

C12H22 — CID 140612167

IUPAC2-(2,2-dimethylpropyl)spiro[2.4]heptane
SMILESCC(C)(C)CC1CC12CCCC2
InChIInChI=1S/C12H22/c1-11(2,3)8-10-9-12(10)6-4-5-7-12/h10H,4-9H2,1-3H3
InChIKeyZPTNYGXKIJOGEM-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.00
Rot. Bonds1

About 2-(2,2-dimethylpropyl)spiro[2.4]heptane

2-(2,2-dimethylpropyl)spiro[2.4]heptane (PubChem CID 140612167) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)spiro[2.4]heptane.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)spiro[2.4]heptane
PubChem CID140612167
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name2-(2,2-dimethylpropyl)spiro[2.4]heptane
SMILESCC(C)(C)CC1CC12CCCC2
InChIInChI=1S/C12H22/c1-11(2,3)8-10-9-12(10)6-4-5-7-12/h10H,4-9H2,1-3H3
InChIKeyZPTNYGXKIJOGEM-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(2,2-dimethylpropyl)spiro[2.4]heptane 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 2-(2,2-dimethylpropyl)spiro[2.4]heptane?
The IUPAC name of 2-(2,2-dimethylpropyl)spiro[2.4]heptane (CID 140612167) is 2-(2,2-dimethylpropyl)spiro[2.4]heptane.
What is the SMILES notation for 2-(2,2-dimethylpropyl)spiro[2.4]heptane?
The canonical SMILES for 2-(2,2-dimethylpropyl)spiro[2.4]heptane is CC(C)(C)CC1CC12CCCC2.
What is the InChIKey of 2-(2,2-dimethylpropyl)spiro[2.4]heptane?
The InChIKey is ZPTNYGXKIJOGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-11(2,3)8-10-9-12(10)6-4-5-7-12/h10H,4-9H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)spiro[2.4]heptane?
2-(2,2-dimethylpropyl)spiro[2.4]heptane has a molecular weight of 166.31 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)spiro[2.4]heptane is sourced from PubChem (CID 140612167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).