(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'}

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Related Compounds

(1R)-1-cyano-2,2-diethoxycyclohexan-1-olate
CID 101141224
1-ethoxy-1-propylcyclohexane
CID 154221474
1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane
CID 154120160
1-butoxy-2-ethoxy-2-methoxycyclohexan-1-ol
CID 154491152
1,1,3,3-tetraethoxycyclohexane
CID 151917056
cyclopentane;1-ethoxy-1-methylsulfanylcyclopentane
CID 67853175
1-ethoxy-1-(trifluoromethyl)cyclopentane
CID 164600656
13,13-diethoxy-7-fluorodispiro[5.1.58.16]tetradecan-14-one
CID 70402146
2-ethoxy-1,2-dimethylpiperidine;hydrochloride
CID 174950833
1,1-diethoxycyclopropane;sulfane
CID 175457696
1,6-diethoxy-7-oxabicyclo[4.1.0]heptane;(2-methylpropan-2-yl)oxysilane
CID 175205036
1-(1-ethoxycycloheptyl)butan-1-ol
CID 116756084

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).