triethyl 1-(oxiran-2-ylmethoxy)propyl silicate

C12H26O6Si — CID 87343649

IUPACtriethyl 1-(oxiran-2-ylmethoxy)propyl silicate
SMILESCCO[Si](OCC)(OCC)OC(CC)OCC1CO1
InChIInChI=1S/C12H26O6Si/c1-5-12(14-10-11-9-13-11)18-19(15-6-2,16-7-3)17-8-4/h11-12H,5-10H2,1-4H3
InChIKeyYQSQIKFYVMNTES-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.70
Rot. Bonds12

About triethyl 1-(oxiran-2-ylmethoxy)propyl silicate

triethyl 1-(oxiran-2-ylmethoxy)propyl silicate (PubChem CID 87343649) has the molecular formula C12H26O6Si and a molecular weight of 294.42 g/mol. Its IUPAC name is triethyl 1-(oxiran-2-ylmethoxy)propyl silicate.

Molecular Properties

Compound Nametriethyl 1-(oxiran-2-ylmethoxy)propyl silicate
PubChem CID87343649
Molecular FormulaC12H26O6Si
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Nametriethyl 1-(oxiran-2-ylmethoxy)propyl silicate
SMILESCCO[Si](OCC)(OCC)OC(CC)OCC1CO1
InChIInChI=1S/C12H26O6Si/c1-5-12(14-10-11-9-13-11)18-19(15-6-2,16-7-3)17-8-4/h11-12H,5-10H2,1-4H3
InChIKeyYQSQIKFYVMNTES-UHFFFAOYSA-N
XLogP1.70
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl 1-(oxiran-2-ylmethoxy)propyl silicate?
The IUPAC name of triethyl 1-(oxiran-2-ylmethoxy)propyl silicate (CID 87343649) is triethyl 1-(oxiran-2-ylmethoxy)propyl silicate.
What is the SMILES notation for triethyl 1-(oxiran-2-ylmethoxy)propyl silicate?
The canonical SMILES for triethyl 1-(oxiran-2-ylmethoxy)propyl silicate is CCO[Si](OCC)(OCC)OC(CC)OCC1CO1.
What is the InChIKey of triethyl 1-(oxiran-2-ylmethoxy)propyl silicate?
The InChIKey is YQSQIKFYVMNTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O6Si/c1-5-12(14-10-11-9-13-11)18-19(15-6-2,16-7-3)17-8-4/h11-12H,5-10H2,1-4H3.
What are the key properties of triethyl 1-(oxiran-2-ylmethoxy)propyl silicate?
triethyl 1-(oxiran-2-ylmethoxy)propyl silicate has a molecular weight of 294.42 g/mol, XLogP of 1.70, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl 1-(oxiran-2-ylmethoxy)propyl silicate is sourced from PubChem (CID 87343649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).