[1,2,2-triethoxy-2-[4-(1,1,2-triethoxy-2-silylethyl)cyclohexyl]ethyl]silane

C22H48O6Si2 — CID 173236882

IUPAC[1,2,2-triethoxy-2-[4-(1,1,2-triethoxy-2-silylethyl)cyclohexyl]ethyl]silane
SMILESCCOC([SiH3])C(OCC)(OCC)C1CCC(C(OCC)(OCC)C([SiH3])OCC)CC1
InChIInChI=1S/C22H48O6Si2/c1-7-23-19(29)21(25-9-3,26-10-4)17-13-15-18(16-14-17)22(27-11-5,28-12-6)20(30)24-8-2/h17-20H,7-16H2,1-6,29-30H3
InChIKeyOJLFEEIAOFXLME-UHFFFAOYSA-N
MW464.79 g/mol
LogP1.79
Rot. Bonds16

About [1,2,2-triethoxy-2-[4-(1,1,2-triethoxy-2-silylethyl)cyclohexyl]ethyl]silane

[1,2,2-triethoxy-2-[4-(1,1,2-triethoxy-2-silylethyl)cyclohexyl]ethyl]silane (PubChem CID 173236882) has the molecular formula C22H48O6Si2 and a molecular weight of 464.79 g/mol. Its IUPAC name is [1,2,2-triethoxy-2-[4-(1,1,2-triethoxy-2-silylethyl)cyclohexyl]ethyl]silane.

Molecular Properties

Compound Name[1,2,2-triethoxy-2-[4-(1,1,2-triethoxy-2-silylethyl)cyclohexyl]ethyl]silane
PubChem CID173236882
Molecular FormulaC22H48O6Si2
Molecular Weight464.79 g/mol
Exact Mass464.30
IUPAC Name[1,2,2-triethoxy-2-[4-(1,1,2-triethoxy-2-silylethyl)cyclohexyl]ethyl]silane
SMILESCCOC([SiH3])C(OCC)(OCC)C1CCC(C(OCC)(OCC)C([SiH3])OCC)CC1
InChIInChI=1S/C22H48O6Si2/c1-7-23-19(29)21(25-9-3,26-10-4)17-13-15-18(16-14-17)22(27-11-5,28-12-6)20(30)24-8-2/h17-20H,7-16H2,1-6,29-30H3
InChIKeyOJLFEEIAOFXLME-UHFFFAOYSA-N
XLogP1.79
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.79
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

1-propan-2-yl-4-(triethoxymethyl)cyclohexane
CID 65400961
(1,1-diethoxy-2-methyldecyl)cyclohexane
CID 151955749
3-(1,1,2-triethoxy-3-silylpropyl)oxolane-2,5-dione
CID 173389206
1-ethyl-4-(triethoxymethyl)cyclohexane
CID 65390728
triethoxymethylcyclobutane
CID 64986091
oxo-bis(1,1,2,2-tetraethoxyethoxy)silane
CID 20571310
1,1,3-triethoxy-3-silylpropan-1-amine
CID 152765619
(1,2-diethoxy-1-silylpropyl)silane
CID 175503971
diethoxymethylsilane;propane
CID 174925754
1-cyclopropyl-1-ethoxy-3,3-dimethylbutan-2-amine
CID 116723219
N-(1-amino-2-cyclopropylpropan-2-yl)-2-butoxypropanamide
CID 119575434
2-cyclopropyl-2-ethoxyethanol
CID 126970888

Frequently Asked Questions

What is the IUPAC name of [1,2,2-triethoxy-2-[4-(1,1,2-triethoxy-2-silylethyl)cyclohexyl]ethyl]silane?
The IUPAC name of [1,2,2-triethoxy-2-[4-(1,1,2-triethoxy-2-silylethyl)cyclohexyl]ethyl]silane (CID 173236882) is [1,2,2-triethoxy-2-[4-(1,1,2-triethoxy-2-silylethyl)cyclohexyl]ethyl]silane.
What is the SMILES notation for [1,2,2-triethoxy-2-[4-(1,1,2-triethoxy-2-silylethyl)cyclohexyl]ethyl]silane?
The canonical SMILES for [1,2,2-triethoxy-2-[4-(1,1,2-triethoxy-2-silylethyl)cyclohexyl]ethyl]silane is CCOC([SiH3])C(OCC)(OCC)C1CCC(C(OCC)(OCC)C([SiH3])OCC)CC1.
What is the InChIKey of [1,2,2-triethoxy-2-[4-(1,1,2-triethoxy-2-silylethyl)cyclohexyl]ethyl]silane?
The InChIKey is OJLFEEIAOFXLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48O6Si2/c1-7-23-19(29)21(25-9-3,26-10-4)17-13-15-18(16-14-17)22(27-11-5,28-12-6)20(30)24-8-2/h17-20H,7-16H2,1-6,29-30H3.
What are the key properties of [1,2,2-triethoxy-2-[4-(1,1,2-triethoxy-2-silylethyl)cyclohexyl]ethyl]silane?
[1,2,2-triethoxy-2-[4-(1,1,2-triethoxy-2-silylethyl)cyclohexyl]ethyl]silane has a molecular weight of 464.79 g/mol, XLogP of 1.79, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,2-triethoxy-2-[4-(1,1,2-triethoxy-2-silylethyl)cyclohexyl]ethyl]silane is sourced from PubChem (CID 173236882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).