bis(3-trimethoxysilylpropyl) hexanedioate

C18H38O10Si2 — CID 23297369

IUPACbis(3-trimethoxysilylpropyl) hexanedioate
SMILESCO[Si](CCCOC(=O)CCCCC(=O)OCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C18H38O10Si2/c1-21-29(22-2,23-3)15-9-13-27-17(19)11-7-8-12-18(20)28-14-10-16-30(24-4,25-5)26-6/h7-16H2,1-6H3
InChIKeyCFGMUCIJJHWYBQ-UHFFFAOYSA-N
MW470.66 g/mol
LogP2.17
Rot. Bonds19

About bis(3-trimethoxysilylpropyl) hexanedioate

bis(3-trimethoxysilylpropyl) hexanedioate (PubChem CID 23297369) has the molecular formula C18H38O10Si2 and a molecular weight of 470.66 g/mol. Its IUPAC name is bis(3-trimethoxysilylpropyl) hexanedioate.

Molecular Properties

Compound Namebis(3-trimethoxysilylpropyl) hexanedioate
PubChem CID23297369
Molecular FormulaC18H38O10Si2
Molecular Weight470.66 g/mol
Exact Mass470.20
IUPAC Namebis(3-trimethoxysilylpropyl) hexanedioate
SMILESCO[Si](CCCOC(=O)CCCCC(=O)OCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C18H38O10Si2/c1-21-29(22-2,23-3)15-9-13-27-17(19)11-7-8-12-18(20)28-14-10-16-30(24-4,25-5)26-6/h7-16H2,1-6H3
InChIKeyCFGMUCIJJHWYBQ-UHFFFAOYSA-N
XLogP2.17
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.66
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(3-trimethoxysilylpropyl) hexanedioate?
The IUPAC name of bis(3-trimethoxysilylpropyl) hexanedioate (CID 23297369) is bis(3-trimethoxysilylpropyl) hexanedioate.
What is the SMILES notation for bis(3-trimethoxysilylpropyl) hexanedioate?
The canonical SMILES for bis(3-trimethoxysilylpropyl) hexanedioate is CO[Si](CCCOC(=O)CCCCC(=O)OCCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of bis(3-trimethoxysilylpropyl) hexanedioate?
The InChIKey is CFGMUCIJJHWYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O10Si2/c1-21-29(22-2,23-3)15-9-13-27-17(19)11-7-8-12-18(20)28-14-10-16-30(24-4,25-5)26-6/h7-16H2,1-6H3.
What are the key properties of bis(3-trimethoxysilylpropyl) hexanedioate?
bis(3-trimethoxysilylpropyl) hexanedioate has a molecular weight of 470.66 g/mol, XLogP of 2.17, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-trimethoxysilylpropyl) hexanedioate is sourced from PubChem (CID 23297369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).