cyclohexyl-dimethoxy-(2-methylbut-3-en-2-yloxy)silane

C13H26O3Si — CID 54552966

IUPACcyclohexyl-dimethoxy-(2-methylbut-3-en-2-yloxy)silane
SMILESC=CC(C)(C)O[Si](OC)(OC)C1CCCCC1
InChIInChI=1S/C13H26O3Si/c1-6-13(2,3)16-17(14-4,15-5)12-10-8-7-9-11-12/h6,12H,1,7-11H2,2-5H3
InChIKeyZLEQPRVNTJJHOJ-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.53
Rot. Bonds6

About cyclohexyl-dimethoxy-(2-methylbut-3-en-2-yloxy)silane

cyclohexyl-dimethoxy-(2-methylbut-3-en-2-yloxy)silane (PubChem CID 54552966) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is cyclohexyl-dimethoxy-(2-methylbut-3-en-2-yloxy)silane.

Molecular Properties

Compound Namecyclohexyl-dimethoxy-(2-methylbut-3-en-2-yloxy)silane
PubChem CID54552966
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Namecyclohexyl-dimethoxy-(2-methylbut-3-en-2-yloxy)silane
SMILESC=CC(C)(C)O[Si](OC)(OC)C1CCCCC1
InChIInChI=1S/C13H26O3Si/c1-6-13(2,3)16-17(14-4,15-5)12-10-8-7-9-11-12/h6,12H,1,7-11H2,2-5H3
InChIKeyZLEQPRVNTJJHOJ-UHFFFAOYSA-N
XLogP3.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclohexyl-dimethoxy-(2-methylbut-3-en-2-yloxy)silane 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 cyclohexyl-dimethoxy-(2-methylbut-3-en-2-yloxy)silane?
The IUPAC name of cyclohexyl-dimethoxy-(2-methylbut-3-en-2-yloxy)silane (CID 54552966) is cyclohexyl-dimethoxy-(2-methylbut-3-en-2-yloxy)silane.
What is the SMILES notation for cyclohexyl-dimethoxy-(2-methylbut-3-en-2-yloxy)silane?
The canonical SMILES for cyclohexyl-dimethoxy-(2-methylbut-3-en-2-yloxy)silane is C=CC(C)(C)O[Si](OC)(OC)C1CCCCC1.
What is the InChIKey of cyclohexyl-dimethoxy-(2-methylbut-3-en-2-yloxy)silane?
The InChIKey is ZLEQPRVNTJJHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-6-13(2,3)16-17(14-4,15-5)12-10-8-7-9-11-12/h6,12H,1,7-11H2,2-5H3.
What are the key properties of cyclohexyl-dimethoxy-(2-methylbut-3-en-2-yloxy)silane?
cyclohexyl-dimethoxy-(2-methylbut-3-en-2-yloxy)silane has a molecular weight of 258.43 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-dimethoxy-(2-methylbut-3-en-2-yloxy)silane is sourced from PubChem (CID 54552966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).