trimethoxy(methyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy(phenyl)silane

C22H46O11Si3 — CID 170853373

IUPACtrimethoxy(methyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy(phenyl)silane
SMILESCO[Si](C)(OC)OC.CO[Si](CCCOCC1CO1)(OC)OC.CO[Si](OC)(OC)c1ccccc1
InChIInChI=1S/C9H20O5Si.C9H14O3Si.C4H12O3Si/c1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9;1-10-13(11-2,12-3)9-7-5-4-6-8-9;1-5-8(4,6-2)7-3/h9H,4-8H2,1-3H3;4-8H,1-3H3;1-4H3
InChIKeyQQMJWSMZGXRUAO-UHFFFAOYSA-N
MW570.86 g/mol
LogP1.94
Rot. Bonds16

About trimethoxy(methyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy(phenyl)silane

trimethoxy(methyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy(phenyl)silane (PubChem CID 170853373) has the molecular formula C22H46O11Si3 and a molecular weight of 570.86 g/mol. Its IUPAC name is trimethoxy(methyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy(phenyl)silane.

Molecular Properties

Compound Nametrimethoxy(methyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy(phenyl)silane
PubChem CID170853373
Molecular FormulaC22H46O11Si3
Molecular Weight570.86 g/mol
Exact Mass570.23
IUPAC Nametrimethoxy(methyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy(phenyl)silane
SMILESCO[Si](C)(OC)OC.CO[Si](CCCOCC1CO1)(OC)OC.CO[Si](OC)(OC)c1ccccc1
InChIInChI=1S/C9H20O5Si.C9H14O3Si.C4H12O3Si/c1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9;1-10-13(11-2,12-3)9-7-5-4-6-8-9;1-5-8(4,6-2)7-3/h9H,4-8H2,1-3H3;4-8H,1-3H3;1-4H3
InChIKeyQQMJWSMZGXRUAO-UHFFFAOYSA-N
XLogP1.94
TPSA104.83 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.86
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethoxy(methyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy(phenyl)silane?
The IUPAC name of trimethoxy(methyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy(phenyl)silane (CID 170853373) is trimethoxy(methyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy(phenyl)silane.
What is the SMILES notation for trimethoxy(methyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy(phenyl)silane?
The canonical SMILES for trimethoxy(methyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy(phenyl)silane is CO[Si](C)(OC)OC.CO[Si](CCCOCC1CO1)(OC)OC.CO[Si](OC)(OC)c1ccccc1.
What is the InChIKey of trimethoxy(methyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy(phenyl)silane?
The InChIKey is QQMJWSMZGXRUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5Si.C9H14O3Si.C4H12O3Si/c1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9;1-10-13(11-2,12-3)9-7-5-4-6-8-9;1-5-8(4,6-2)7-3/h9H,4-8H2,1-3H3;4-8H,1-3H3;1-4H3.
What are the key properties of trimethoxy(methyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy(phenyl)silane?
trimethoxy(methyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy(phenyl)silane has a molecular weight of 570.86 g/mol, XLogP of 1.94, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy(methyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy(phenyl)silane is sourced from PubChem (CID 170853373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).