bis(3-trimethoxysilylpropyl) (E)-but-2-enedioate

C16H32O10Si2 — CID 6436929

IUPACbis(3-trimethoxysilylpropyl) (E)-but-2-enedioate
SMILESCO[Si](CCCOC(=O)/C=C/C(=O)OCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C16H32O10Si2/c1-19-27(20-2,21-3)13-7-11-25-15(17)9-10-16(18)26-12-8-14-28(22-4,23-5)24-6/h9-10H,7-8,11-14H2,1-6H3/b10-9+
InChIKeyGPWPWELMLCKXRP-MDZDMXLPSA-N
MW440.59 g/mol
LogP1.17
Rot. Bonds16

About bis(3-trimethoxysilylpropyl) (E)-but-2-enedioate

bis(3-trimethoxysilylpropyl) (E)-but-2-enedioate (PubChem CID 6436929) has the molecular formula C16H32O10Si2 and a molecular weight of 440.59 g/mol. Its IUPAC name is bis(3-trimethoxysilylpropyl) (E)-but-2-enedioate.

Molecular Properties

Compound Namebis(3-trimethoxysilylpropyl) (E)-but-2-enedioate
PubChem CID6436929
Molecular FormulaC16H32O10Si2
Molecular Weight440.59 g/mol
Exact Mass440.15
IUPAC Namebis(3-trimethoxysilylpropyl) (E)-but-2-enedioate
SMILESCO[Si](CCCOC(=O)/C=C/C(=O)OCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C16H32O10Si2/c1-19-27(20-2,21-3)13-7-11-25-15(17)9-10-16(18)26-12-8-14-28(22-4,23-5)24-6/h9-10H,7-8,11-14H2,1-6H3/b10-9+
InChIKeyGPWPWELMLCKXRP-MDZDMXLPSA-N
XLogP1.17
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 51.17
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(3-trimethoxysilylpropyl) (E)-but-2-enedioate?
The IUPAC name of bis(3-trimethoxysilylpropyl) (E)-but-2-enedioate (CID 6436929) is bis(3-trimethoxysilylpropyl) (E)-but-2-enedioate.
What is the SMILES notation for bis(3-trimethoxysilylpropyl) (E)-but-2-enedioate?
The canonical SMILES for bis(3-trimethoxysilylpropyl) (E)-but-2-enedioate is CO[Si](CCCOC(=O)/C=C/C(=O)OCCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of bis(3-trimethoxysilylpropyl) (E)-but-2-enedioate?
The InChIKey is GPWPWELMLCKXRP-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H32O10Si2/c1-19-27(20-2,21-3)13-7-11-25-15(17)9-10-16(18)26-12-8-14-28(22-4,23-5)24-6/h9-10H,7-8,11-14H2,1-6H3/b10-9+.
What are the key properties of bis(3-trimethoxysilylpropyl) (E)-but-2-enedioate?
bis(3-trimethoxysilylpropyl) (E)-but-2-enedioate has a molecular weight of 440.59 g/mol, XLogP of 1.17, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-trimethoxysilylpropyl) (E)-but-2-enedioate is sourced from PubChem (CID 6436929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).