trimethoxy(methyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane

C24H48O10Si3 — CID 170852723

IUPACtrimethoxy(methyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane
SMILESCO[Si](C)(OC)OC.CO[Si](CCC1CCC2OC2C1)(OC)OC.CO[Si](OC)(OC)c1ccccc1
InChIInChI=1S/C11H22O4Si.C9H14O3Si.C4H12O3Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10;1-10-13(11-2,12-3)9-7-5-4-6-8-9;1-5-8(4,6-2)7-3/h9-11H,4-8H2,1-3H3;4-8H,1-3H3;1-4H3
InChIKeyKXMWVAOMHWGIGU-UHFFFAOYSA-N
MW580.90 g/mol
LogP3.09
Rot. Bonds13

About trimethoxy(methyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane

trimethoxy(methyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane (PubChem CID 170852723) has the molecular formula C24H48O10Si3 and a molecular weight of 580.90 g/mol. Its IUPAC name is trimethoxy(methyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane.

Molecular Properties

Compound Nametrimethoxy(methyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane
PubChem CID170852723
Molecular FormulaC24H48O10Si3
Molecular Weight580.90 g/mol
Exact Mass580.26
IUPAC Nametrimethoxy(methyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane
SMILESCO[Si](C)(OC)OC.CO[Si](CCC1CCC2OC2C1)(OC)OC.CO[Si](OC)(OC)c1ccccc1
InChIInChI=1S/C11H22O4Si.C9H14O3Si.C4H12O3Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10;1-10-13(11-2,12-3)9-7-5-4-6-8-9;1-5-8(4,6-2)7-3/h9-11H,4-8H2,1-3H3;4-8H,1-3H3;1-4H3
InChIKeyKXMWVAOMHWGIGU-UHFFFAOYSA-N
XLogP3.09
TPSA95.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.90
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'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-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane?
The IUPAC name of trimethoxy(methyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane (CID 170852723) is trimethoxy(methyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane.
What is the SMILES notation for trimethoxy(methyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane?
The canonical SMILES for trimethoxy(methyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane is CO[Si](C)(OC)OC.CO[Si](CCC1CCC2OC2C1)(OC)OC.CO[Si](OC)(OC)c1ccccc1.
What is the InChIKey of trimethoxy(methyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane?
The InChIKey is KXMWVAOMHWGIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si.C9H14O3Si.C4H12O3Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10;1-10-13(11-2,12-3)9-7-5-4-6-8-9;1-5-8(4,6-2)7-3/h9-11H,4-8H2,1-3H3;4-8H,1-3H3;1-4H3.
What are the key properties of trimethoxy(methyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane?
trimethoxy(methyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane has a molecular weight of 580.90 g/mol, XLogP of 3.09, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy(methyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane is sourced from PubChem (CID 170852723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).