3-(2,2-dimethylpropyl)-2-silabicyclo[2.2.1]heptane

C11H22Si — CID 101334913

IUPAC3-(2,2-dimethylpropyl)-2-silabicyclo[2.2.1]heptane
SMILESCC(C)(C)CC1[SiH2]C2CCC1C2
InChIInChI=1S/C11H22Si/c1-11(2,3)7-10-8-4-5-9(6-8)12-10/h8-10H,4-7,12H2,1-3H3
InChIKeyWBODCGKGWCYNNG-UHFFFAOYSA-N
MW182.38 g/mol
LogP2.98
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-2-silabicyclo[2.2.1]heptane

3-(2,2-dimethylpropyl)-2-silabicyclo[2.2.1]heptane (PubChem CID 101334913) has the molecular formula C11H22Si and a molecular weight of 182.38 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-2-silabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-2-silabicyclo[2.2.1]heptane
PubChem CID101334913
Molecular FormulaC11H22Si
Molecular Weight182.38 g/mol
Exact Mass182.15
IUPAC Name3-(2,2-dimethylpropyl)-2-silabicyclo[2.2.1]heptane
SMILESCC(C)(C)CC1[SiH2]C2CCC1C2
InChIInChI=1S/C11H22Si/c1-11(2,3)7-10-8-4-5-9(6-8)12-10/h8-10H,4-7,12H2,1-3H3
InChIKeyWBODCGKGWCYNNG-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-(2,2-dimethylpropyl)-2-silabicyclo[2.2.1]heptane with MolForge

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

Launch Full Analysis

Related Compounds

7-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane
CID 58592691
3,5-bis(2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane
CID 144521814
4,6-bis(2,2-dimethylpropyl)-1,3-dioxane
CID 546530
(2R)-2-(2,2-dimethylpropyl)oxirane
CID 15053925
(2R)-2-(2,2-dimethylpropyl)oxolane
CID 58780469
(2S)-2-(2,2-dimethylpropyl)oxolane
CID 58780523
2-(2,2-dimethylpropyl)oxolane;ethane
CID 155737583
1-(2,2-dimethylpropyl)-3-methylcyclopentane
CID 58530421
2-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.0.03,8]decane
CID 153435429
2-(2,2-dimethylpropyl)-6-methyloxane
CID 163432444
2,2-dimethylpropane;2,2-dimethylpropylcyclobutane
CID 167591215
[(1R,3R)-3-(2,2-dimethylpropyl)cyclopentyl]methanol
CID 59479700

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-2-silabicyclo[2.2.1]heptane?
The IUPAC name of 3-(2,2-dimethylpropyl)-2-silabicyclo[2.2.1]heptane (CID 101334913) is 3-(2,2-dimethylpropyl)-2-silabicyclo[2.2.1]heptane.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-2-silabicyclo[2.2.1]heptane?
The canonical SMILES for 3-(2,2-dimethylpropyl)-2-silabicyclo[2.2.1]heptane is CC(C)(C)CC1[SiH2]C2CCC1C2.
What is the InChIKey of 3-(2,2-dimethylpropyl)-2-silabicyclo[2.2.1]heptane?
The InChIKey is WBODCGKGWCYNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22Si/c1-11(2,3)7-10-8-4-5-9(6-8)12-10/h8-10H,4-7,12H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-2-silabicyclo[2.2.1]heptane?
3-(2,2-dimethylpropyl)-2-silabicyclo[2.2.1]heptane has a molecular weight of 182.38 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-2-silabicyclo[2.2.1]heptane is sourced from PubChem (CID 101334913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).