2-[2,4-bis(2-trimethoxysilylethyl)cyclopentyl]ethyl-trimethoxysilane

C20H46O9Si3 — CID 15390328

IUPAC2-[2,4-bis(2-trimethoxysilylethyl)cyclopentyl]ethyl-trimethoxysilane
SMILESCO[Si](CCC1CC(CC[Si](OC)(OC)OC)C(CC[Si](OC)(OC)OC)C1)(OC)OC
InChIInChI=1S/C20H46O9Si3/c1-21-30(22-2,23-3)13-10-18-16-19(11-14-31(24-4,25-5)26-6)20(17-18)12-15-32(27-7,28-8)29-9/h18-20H,10-17H2,1-9H3
InChIKeyCPQKYHGVOUPSIR-UHFFFAOYSA-N
MW514.84 g/mol
LogP3.43
Rot. Bonds18

About 2-[2,4-bis(2-trimethoxysilylethyl)cyclopentyl]ethyl-trimethoxysilane

2-[2,4-bis(2-trimethoxysilylethyl)cyclopentyl]ethyl-trimethoxysilane (PubChem CID 15390328) has the molecular formula C20H46O9Si3 and a molecular weight of 514.84 g/mol. Its IUPAC name is 2-[2,4-bis(2-trimethoxysilylethyl)cyclopentyl]ethyl-trimethoxysilane.

Molecular Properties

Compound Name2-[2,4-bis(2-trimethoxysilylethyl)cyclopentyl]ethyl-trimethoxysilane
PubChem CID15390328
Molecular FormulaC20H46O9Si3
Molecular Weight514.84 g/mol
Exact Mass514.24
IUPAC Name2-[2,4-bis(2-trimethoxysilylethyl)cyclopentyl]ethyl-trimethoxysilane
SMILESCO[Si](CCC1CC(CC[Si](OC)(OC)OC)C(CC[Si](OC)(OC)OC)C1)(OC)OC
InChIInChI=1S/C20H46O9Si3/c1-21-30(22-2,23-3)13-10-18-16-19(11-14-31(24-4,25-5)26-6)20(17-18)12-15-32(27-7,28-8)29-9/h18-20H,10-17H2,1-9H3
InChIKeyCPQKYHGVOUPSIR-UHFFFAOYSA-N
XLogP3.43
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.84
LogP ≤ 53.43
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-[2,4-bis(2-trimethoxysilylethyl)cyclopentyl]ethyl-trimethoxysilane?
The IUPAC name of 2-[2,4-bis(2-trimethoxysilylethyl)cyclopentyl]ethyl-trimethoxysilane (CID 15390328) is 2-[2,4-bis(2-trimethoxysilylethyl)cyclopentyl]ethyl-trimethoxysilane.
What is the SMILES notation for 2-[2,4-bis(2-trimethoxysilylethyl)cyclopentyl]ethyl-trimethoxysilane?
The canonical SMILES for 2-[2,4-bis(2-trimethoxysilylethyl)cyclopentyl]ethyl-trimethoxysilane is CO[Si](CCC1CC(CC[Si](OC)(OC)OC)C(CC[Si](OC)(OC)OC)C1)(OC)OC.
What is the InChIKey of 2-[2,4-bis(2-trimethoxysilylethyl)cyclopentyl]ethyl-trimethoxysilane?
The InChIKey is CPQKYHGVOUPSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46O9Si3/c1-21-30(22-2,23-3)13-10-18-16-19(11-14-31(24-4,25-5)26-6)20(17-18)12-15-32(27-7,28-8)29-9/h18-20H,10-17H2,1-9H3.
What are the key properties of 2-[2,4-bis(2-trimethoxysilylethyl)cyclopentyl]ethyl-trimethoxysilane?
2-[2,4-bis(2-trimethoxysilylethyl)cyclopentyl]ethyl-trimethoxysilane has a molecular weight of 514.84 g/mol, XLogP of 3.43, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(2-trimethoxysilylethyl)cyclopentyl]ethyl-trimethoxysilane is sourced from PubChem (CID 15390328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).