(3,3-dimethyloxiran-2-yl)methyl-trimethoxysilane

C8H18O4Si — CID 12504385

IUPAC(3,3-dimethyloxiran-2-yl)methyl-trimethoxysilane
SMILESCO[Si](CC1OC1(C)C)(OC)OC
InChIInChI=1S/C8H18O4Si/c1-8(2)7(12-8)6-13(9-3,10-4)11-5/h7H,6H2,1-5H3
InChIKeyYKJLMDNKCYOTJT-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.04
Rot. Bonds5

About (3,3-dimethyloxiran-2-yl)methyl-trimethoxysilane

(3,3-dimethyloxiran-2-yl)methyl-trimethoxysilane (PubChem CID 12504385) has the molecular formula C8H18O4Si and a molecular weight of 206.31 g/mol. Its IUPAC name is (3,3-dimethyloxiran-2-yl)methyl-trimethoxysilane.

Molecular Properties

Compound Name(3,3-dimethyloxiran-2-yl)methyl-trimethoxysilane
PubChem CID12504385
Molecular FormulaC8H18O4Si
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name(3,3-dimethyloxiran-2-yl)methyl-trimethoxysilane
SMILESCO[Si](CC1OC1(C)C)(OC)OC
InChIInChI=1S/C8H18O4Si/c1-8(2)7(12-8)6-13(9-3,10-4)11-5/h7H,6H2,1-5H3
InChIKeyYKJLMDNKCYOTJT-UHFFFAOYSA-N
XLogP1.04
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Iwcmcjwjgnrlfm-uhfffaoysa-
CID 12504381
Wtxmmsdawhvpoa-uhfffaoysa-
CID 12504382
Wnzcenknnzkfmy-uhfffaoysa-
CID 12504386
Askxxqavwpkvga-uhfffaoysa-
CID 23269120
Trimethoxy-[2-(3-methyloxiran-2-yl)ethyl]silane
CID 12504391
Triethoxy(oxiran-2-ylmethyl)silane
CID 13744027
Oxiran-2-ylmethyl(tripropoxy)silane
CID 18764776
(2,3-Dimethyloxiran-2-yl)methyl-trimethoxysilane
CID 20675257
Triethoxy-(3-methyloxiran-2-yl)silane
CID 22634802
(3,3-Dimethyloxiran-2-yl)methyl-[(3,3-dimethyloxiran-2-yl)methyl-dimethylsilyl]oxy-dimethylsilane
CID 23178448
Trimethoxy-[2-methyl-3-(oxiran-2-ylmethoxy)butyl]silane
CID 23500058
Trimethoxy-[2-methyl-2-(oxiran-2-ylmethoxy)butyl]silane
CID 23500061

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyloxiran-2-yl)methyl-trimethoxysilane?
The IUPAC name of (3,3-dimethyloxiran-2-yl)methyl-trimethoxysilane (CID 12504385) is (3,3-dimethyloxiran-2-yl)methyl-trimethoxysilane.
What is the SMILES notation for (3,3-dimethyloxiran-2-yl)methyl-trimethoxysilane?
The canonical SMILES for (3,3-dimethyloxiran-2-yl)methyl-trimethoxysilane is CO[Si](CC1OC1(C)C)(OC)OC.
What is the InChIKey of (3,3-dimethyloxiran-2-yl)methyl-trimethoxysilane?
The InChIKey is YKJLMDNKCYOTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4Si/c1-8(2)7(12-8)6-13(9-3,10-4)11-5/h7H,6H2,1-5H3.
What are the key properties of (3,3-dimethyloxiran-2-yl)methyl-trimethoxysilane?
(3,3-dimethyloxiran-2-yl)methyl-trimethoxysilane has a molecular weight of 206.31 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyloxiran-2-yl)methyl-trimethoxysilane is sourced from PubChem (CID 12504385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).