3,7,10-trimethyl-1-(oxiran-2-ylmethoxy)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane

C12H23NO5Si — CID 176899824

IUPAC3,7,10-trimethyl-1-(oxiran-2-ylmethoxy)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
SMILESCC1CN2CC(C)O[Si](OCC3CO3)(O1)OC(C)C2
InChIInChI=1S/C12H23NO5Si/c1-9-4-13-5-10(2)17-19(16-9,18-11(3)6-13)15-8-12-7-14-12/h9-12H,4-8H2,1-3H3
InChIKeyWPKQPCVXZZWKJA-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.38
Rot. Bonds3

About 3,7,10-trimethyl-1-(oxiran-2-ylmethoxy)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane

3,7,10-trimethyl-1-(oxiran-2-ylmethoxy)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane (PubChem CID 176899824) has the molecular formula C12H23NO5Si and a molecular weight of 289.40 g/mol. Its IUPAC name is 3,7,10-trimethyl-1-(oxiran-2-ylmethoxy)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane.

Molecular Properties

Compound Name3,7,10-trimethyl-1-(oxiran-2-ylmethoxy)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
PubChem CID176899824
Molecular FormulaC12H23NO5Si
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Name3,7,10-trimethyl-1-(oxiran-2-ylmethoxy)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
SMILESCC1CN2CC(C)O[Si](OCC3CO3)(O1)OC(C)C2
InChIInChI=1S/C12H23NO5Si/c1-9-4-13-5-10(2)17-19(16-9,18-11(3)6-13)15-8-12-7-14-12/h9-12H,4-8H2,1-3H3
InChIKeyWPKQPCVXZZWKJA-UHFFFAOYSA-N
XLogP0.38
TPSA52.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

triethoxy-[3-[(1-ethoxy-7,10-dimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl)methoxy]propyl]silane
CID 59936782
3,7,10-trimethyl-1-[8-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)octyl]-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
CID 123934634
1-methoxy-3-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
CID 59936764
methyl-tris(oxiran-2-ylmethoxy)silane
CID 22460133
3-[(3R,7R,10R)-3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl]propan-1-amine
CID 125472841
2-(oxiran-2-ylmethoxymethyl)oxirane;oxophosphane
CID 22290133
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
dimethoxy-methyl-(oxiran-2-ylmethoxy)silane
CID 11105925
dimethoxysilane;2-(methoxymethyl)oxirane
CID 175354723
2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
CID 22222974
methoxy-dimethyl-(oxiran-2-ylmethoxy)silane
CID 140853728
2-[[2,6,10-trimethyl-11-(oxiran-2-ylmethoxy)undecoxy]methyl]oxirane
CID 142609718

Frequently Asked Questions

What is the IUPAC name of 3,7,10-trimethyl-1-(oxiran-2-ylmethoxy)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane?
The IUPAC name of 3,7,10-trimethyl-1-(oxiran-2-ylmethoxy)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane (CID 176899824) is 3,7,10-trimethyl-1-(oxiran-2-ylmethoxy)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane.
What is the SMILES notation for 3,7,10-trimethyl-1-(oxiran-2-ylmethoxy)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane?
The canonical SMILES for 3,7,10-trimethyl-1-(oxiran-2-ylmethoxy)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane is CC1CN2CC(C)O[Si](OCC3CO3)(O1)OC(C)C2.
What is the InChIKey of 3,7,10-trimethyl-1-(oxiran-2-ylmethoxy)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane?
The InChIKey is WPKQPCVXZZWKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5Si/c1-9-4-13-5-10(2)17-19(16-9,18-11(3)6-13)15-8-12-7-14-12/h9-12H,4-8H2,1-3H3.
What are the key properties of 3,7,10-trimethyl-1-(oxiran-2-ylmethoxy)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane?
3,7,10-trimethyl-1-(oxiran-2-ylmethoxy)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane has a molecular weight of 289.40 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,10-trimethyl-1-(oxiran-2-ylmethoxy)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane is sourced from PubChem (CID 176899824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).