triethoxy-[(3-methyloxiran-2-yl)-propoxymethyl]silane

C13H28O5Si — CID 174440461

IUPACtriethoxy-[(3-methyloxiran-2-yl)-propoxymethyl]silane
SMILESCCCOC(C1OC1C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H28O5Si/c1-6-10-14-13(12-11(5)18-12)19(15-7-2,16-8-3)17-9-4/h11-13H,6-10H2,1-5H3
InChIKeyGOEJVDHRBSVSFA-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.16
Rot. Bonds11

About triethoxy-[(3-methyloxiran-2-yl)-propoxymethyl]silane

triethoxy-[(3-methyloxiran-2-yl)-propoxymethyl]silane (PubChem CID 174440461) has the molecular formula C13H28O5Si and a molecular weight of 292.45 g/mol. Its IUPAC name is triethoxy-[(3-methyloxiran-2-yl)-propoxymethyl]silane.

Molecular Properties

Compound Nametriethoxy-[(3-methyloxiran-2-yl)-propoxymethyl]silane
PubChem CID174440461
Molecular FormulaC13H28O5Si
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Nametriethoxy-[(3-methyloxiran-2-yl)-propoxymethyl]silane
SMILESCCCOC(C1OC1C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H28O5Si/c1-6-10-14-13(12-11(5)18-12)19(15-7-2,16-8-3)17-9-4/h11-13H,6-10H2,1-5H3
InChIKeyGOEJVDHRBSVSFA-UHFFFAOYSA-N
XLogP2.16
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 triethoxy-[(3-methyloxiran-2-yl)-propoxymethyl]silane?
The IUPAC name of triethoxy-[(3-methyloxiran-2-yl)-propoxymethyl]silane (CID 174440461) is triethoxy-[(3-methyloxiran-2-yl)-propoxymethyl]silane.
What is the SMILES notation for triethoxy-[(3-methyloxiran-2-yl)-propoxymethyl]silane?
The canonical SMILES for triethoxy-[(3-methyloxiran-2-yl)-propoxymethyl]silane is CCCOC(C1OC1C)[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[(3-methyloxiran-2-yl)-propoxymethyl]silane?
The InChIKey is GOEJVDHRBSVSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O5Si/c1-6-10-14-13(12-11(5)18-12)19(15-7-2,16-8-3)17-9-4/h11-13H,6-10H2,1-5H3.
What are the key properties of triethoxy-[(3-methyloxiran-2-yl)-propoxymethyl]silane?
triethoxy-[(3-methyloxiran-2-yl)-propoxymethyl]silane has a molecular weight of 292.45 g/mol, XLogP of 2.16, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[(3-methyloxiran-2-yl)-propoxymethyl]silane is sourced from PubChem (CID 174440461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).