trimethoxy-[3-trimethoxysilyl-2,2-bis(trimethoxysilylmethyl)propyl]silane

C17H44O12Si4 — CID 18454140

IUPACtrimethoxy-[3-trimethoxysilyl-2,2-bis(trimethoxysilylmethyl)propyl]silane
SMILESCO[Si](CC(C[Si](OC)(OC)OC)(C[Si](OC)(OC)OC)C[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C17H44O12Si4/c1-18-30(19-2,20-3)13-17(14-31(21-4,22-5)23-6,15-32(24-7,25-8)26-9)16-33(27-10,28-11)29-12/h13-16H2,1-12H3
InChIKeyUMKAXYIUADSMOD-UHFFFAOYSA-N
MW552.87 g/mol
LogP1.49
Rot. Bonds20

About trimethoxy-[3-trimethoxysilyl-2,2-bis(trimethoxysilylmethyl)propyl]silane

trimethoxy-[3-trimethoxysilyl-2,2-bis(trimethoxysilylmethyl)propyl]silane (PubChem CID 18454140) has the molecular formula C17H44O12Si4 and a molecular weight of 552.87 g/mol. Its IUPAC name is trimethoxy-[3-trimethoxysilyl-2,2-bis(trimethoxysilylmethyl)propyl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-trimethoxysilyl-2,2-bis(trimethoxysilylmethyl)propyl]silane
PubChem CID18454140
Molecular FormulaC17H44O12Si4
Molecular Weight552.87 g/mol
Exact Mass552.19
IUPAC Nametrimethoxy-[3-trimethoxysilyl-2,2-bis(trimethoxysilylmethyl)propyl]silane
SMILESCO[Si](CC(C[Si](OC)(OC)OC)(C[Si](OC)(OC)OC)C[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C17H44O12Si4/c1-18-30(19-2,20-3)13-17(14-31(21-4,22-5)23-6,15-32(24-7,25-8)26-9)16-33(27-10,28-11)29-12/h13-16H2,1-12H3
InChIKeyUMKAXYIUADSMOD-UHFFFAOYSA-N
XLogP1.49
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.87
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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 trimethoxy-[3-trimethoxysilyl-2,2-bis(trimethoxysilylmethyl)propyl]silane?
The IUPAC name of trimethoxy-[3-trimethoxysilyl-2,2-bis(trimethoxysilylmethyl)propyl]silane (CID 18454140) is trimethoxy-[3-trimethoxysilyl-2,2-bis(trimethoxysilylmethyl)propyl]silane.
What is the SMILES notation for trimethoxy-[3-trimethoxysilyl-2,2-bis(trimethoxysilylmethyl)propyl]silane?
The canonical SMILES for trimethoxy-[3-trimethoxysilyl-2,2-bis(trimethoxysilylmethyl)propyl]silane is CO[Si](CC(C[Si](OC)(OC)OC)(C[Si](OC)(OC)OC)C[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of trimethoxy-[3-trimethoxysilyl-2,2-bis(trimethoxysilylmethyl)propyl]silane?
The InChIKey is UMKAXYIUADSMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H44O12Si4/c1-18-30(19-2,20-3)13-17(14-31(21-4,22-5)23-6,15-32(24-7,25-8)26-9)16-33(27-10,28-11)29-12/h13-16H2,1-12H3.
What are the key properties of trimethoxy-[3-trimethoxysilyl-2,2-bis(trimethoxysilylmethyl)propyl]silane?
trimethoxy-[3-trimethoxysilyl-2,2-bis(trimethoxysilylmethyl)propyl]silane has a molecular weight of 552.87 g/mol, XLogP of 1.49, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-trimethoxysilyl-2,2-bis(trimethoxysilylmethyl)propyl]silane is sourced from PubChem (CID 18454140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).