(1,2,2-triethoxycyclohexyl)silane

C12H26O3Si — CID 173155217

IUPAC(1,2,2-triethoxycyclohexyl)silane
SMILESCCOC1([SiH3])CCCCC1(OCC)OCC
InChIInChI=1S/C12H26O3Si/c1-4-13-11(14-5-2)9-7-8-10-12(11,16)15-6-3/h4-10H2,1-3,16H3
InChIKeyBXBHQMMCLZODFZ-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.43
Rot. Bonds6

About (1,2,2-triethoxycyclohexyl)silane

(1,2,2-triethoxycyclohexyl)silane (PubChem CID 173155217) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is (1,2,2-triethoxycyclohexyl)silane.

Molecular Properties

Compound Name(1,2,2-triethoxycyclohexyl)silane
PubChem CID173155217
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name(1,2,2-triethoxycyclohexyl)silane
SMILESCCOC1([SiH3])CCCCC1(OCC)OCC
InChIInChI=1S/C12H26O3Si/c1-4-13-11(14-5-2)9-7-8-10-12(11,16)15-6-3/h4-10H2,1-3,16H3
InChIKeyBXBHQMMCLZODFZ-UHFFFAOYSA-N
XLogP1.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1,2,2-triethoxycyclohexyl)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 (1,2,2-triethoxycyclohexyl)silane?
The IUPAC name of (1,2,2-triethoxycyclohexyl)silane (CID 173155217) is (1,2,2-triethoxycyclohexyl)silane.
What is the SMILES notation for (1,2,2-triethoxycyclohexyl)silane?
The canonical SMILES for (1,2,2-triethoxycyclohexyl)silane is CCOC1([SiH3])CCCCC1(OCC)OCC.
What is the InChIKey of (1,2,2-triethoxycyclohexyl)silane?
The InChIKey is BXBHQMMCLZODFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-4-13-11(14-5-2)9-7-8-10-12(11,16)15-6-3/h4-10H2,1-3,16H3.
What are the key properties of (1,2,2-triethoxycyclohexyl)silane?
(1,2,2-triethoxycyclohexyl)silane has a molecular weight of 246.42 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2-triethoxycyclohexyl)silane is sourced from PubChem (CID 173155217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).