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

C11H24O4Si — CID 12504386

IUPAC(3,3-dimethyloxiran-2-yl)methyl-triethoxysilane
SMILESCCO[Si](CC1OC1(C)C)(OCC)OCC
InChIInChI=1S/C11H24O4Si/c1-6-12-16(13-7-2,14-8-3)9-10-11(4,5)15-10/h10H,6-9H2,1-5H3
InChIKeyWNZCENKNNZKFMY-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.21
Rot. Bonds8

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

(3,3-dimethyloxiran-2-yl)methyl-triethoxysilane (PubChem CID 12504386) has the molecular formula C11H24O4Si and a molecular weight of 248.39 g/mol. Its IUPAC name is (3,3-dimethyloxiran-2-yl)methyl-triethoxysilane.

Molecular Properties

Compound Name(3,3-dimethyloxiran-2-yl)methyl-triethoxysilane
PubChem CID12504386
Molecular FormulaC11H24O4Si
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name(3,3-dimethyloxiran-2-yl)methyl-triethoxysilane
SMILESCCO[Si](CC1OC1(C)C)(OCC)OCC
InChIInChI=1S/C11H24O4Si/c1-6-12-16(13-7-2,14-8-3)9-10-11(4,5)15-10/h10H,6-9H2,1-5H3
InChIKeyWNZCENKNNZKFMY-UHFFFAOYSA-N
XLogP2.21
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.21
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
Ykjlmdnkcyotjt-uhfffaoysa-
CID 12504385
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-triethoxysilane?
The IUPAC name of (3,3-dimethyloxiran-2-yl)methyl-triethoxysilane (CID 12504386) is (3,3-dimethyloxiran-2-yl)methyl-triethoxysilane.
What is the SMILES notation for (3,3-dimethyloxiran-2-yl)methyl-triethoxysilane?
The canonical SMILES for (3,3-dimethyloxiran-2-yl)methyl-triethoxysilane is CCO[Si](CC1OC1(C)C)(OCC)OCC.
What is the InChIKey of (3,3-dimethyloxiran-2-yl)methyl-triethoxysilane?
The InChIKey is WNZCENKNNZKFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4Si/c1-6-12-16(13-7-2,14-8-3)9-10-11(4,5)15-10/h10H,6-9H2,1-5H3.
What are the key properties of (3,3-dimethyloxiran-2-yl)methyl-triethoxysilane?
(3,3-dimethyloxiran-2-yl)methyl-triethoxysilane has a molecular weight of 248.39 g/mol, XLogP of 2.21, 8 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-triethoxysilane is sourced from PubChem (CID 12504386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).