2-[1,2-bis(2-trimethoxysilylethyl)cyclohexyl]ethyl-trimethoxysilane

C21H48O9Si3 — CID 21186922

IUPAC2-[1,2-bis(2-trimethoxysilylethyl)cyclohexyl]ethyl-trimethoxysilane
SMILESCO[Si](CCC1CCCCC1(CC[Si](OC)(OC)OC)CC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C21H48O9Si3/c1-22-31(23-2,24-3)17-13-20-12-10-11-14-21(20,15-18-32(25-4,26-5)27-6)16-19-33(28-7,29-8)30-9/h20H,10-19H2,1-9H3
InChIKeyKMDXTDGLBCKTQX-UHFFFAOYSA-N
MW528.86 g/mol
LogP3.97
Rot. Bonds18

About 2-[1,2-bis(2-trimethoxysilylethyl)cyclohexyl]ethyl-trimethoxysilane

2-[1,2-bis(2-trimethoxysilylethyl)cyclohexyl]ethyl-trimethoxysilane (PubChem CID 21186922) has the molecular formula C21H48O9Si3 and a molecular weight of 528.86 g/mol. Its IUPAC name is 2-[1,2-bis(2-trimethoxysilylethyl)cyclohexyl]ethyl-trimethoxysilane.

Molecular Properties

Compound Name2-[1,2-bis(2-trimethoxysilylethyl)cyclohexyl]ethyl-trimethoxysilane
PubChem CID21186922
Molecular FormulaC21H48O9Si3
Molecular Weight528.86 g/mol
Exact Mass528.26
IUPAC Name2-[1,2-bis(2-trimethoxysilylethyl)cyclohexyl]ethyl-trimethoxysilane
SMILESCO[Si](CCC1CCCCC1(CC[Si](OC)(OC)OC)CC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C21H48O9Si3/c1-22-31(23-2,24-3)17-13-20-12-10-11-14-21(20,15-18-32(25-4,26-5)27-6)16-19-33(28-7,29-8)30-9/h20H,10-19H2,1-9H3
InChIKeyKMDXTDGLBCKTQX-UHFFFAOYSA-N
XLogP3.97
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.86
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1,2-bis(2-trimethoxysilylethyl)cyclohexyl]ethyl-trimethoxysilane?
The IUPAC name of 2-[1,2-bis(2-trimethoxysilylethyl)cyclohexyl]ethyl-trimethoxysilane (CID 21186922) is 2-[1,2-bis(2-trimethoxysilylethyl)cyclohexyl]ethyl-trimethoxysilane.
What is the SMILES notation for 2-[1,2-bis(2-trimethoxysilylethyl)cyclohexyl]ethyl-trimethoxysilane?
The canonical SMILES for 2-[1,2-bis(2-trimethoxysilylethyl)cyclohexyl]ethyl-trimethoxysilane is CO[Si](CCC1CCCCC1(CC[Si](OC)(OC)OC)CC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of 2-[1,2-bis(2-trimethoxysilylethyl)cyclohexyl]ethyl-trimethoxysilane?
The InChIKey is KMDXTDGLBCKTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H48O9Si3/c1-22-31(23-2,24-3)17-13-20-12-10-11-14-21(20,15-18-32(25-4,26-5)27-6)16-19-33(28-7,29-8)30-9/h20H,10-19H2,1-9H3.
What are the key properties of 2-[1,2-bis(2-trimethoxysilylethyl)cyclohexyl]ethyl-trimethoxysilane?
2-[1,2-bis(2-trimethoxysilylethyl)cyclohexyl]ethyl-trimethoxysilane has a molecular weight of 528.86 g/mol, XLogP of 3.97, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-bis(2-trimethoxysilylethyl)cyclohexyl]ethyl-trimethoxysilane is sourced from PubChem (CID 21186922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).