diethyl oxiran-2-yl propyl silicate

C9H20O5Si — CID 87390747

IUPACdiethyl oxiran-2-yl propyl silicate
SMILESCCCO[Si](OCC)(OCC)OC1CO1
InChIInChI=1S/C9H20O5Si/c1-4-7-13-15(11-5-2,12-6-3)14-9-8-10-9/h9H,4-8H2,1-3H3
InChIKeyHSNHVPWQPUMGKS-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.29
Rot. Bonds9

About diethyl oxiran-2-yl propyl silicate

diethyl oxiran-2-yl propyl silicate (PubChem CID 87390747) has the molecular formula C9H20O5Si and a molecular weight of 236.34 g/mol. Its IUPAC name is diethyl oxiran-2-yl propyl silicate.

Molecular Properties

Compound Namediethyl oxiran-2-yl propyl silicate
PubChem CID87390747
Molecular FormulaC9H20O5Si
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Namediethyl oxiran-2-yl propyl silicate
SMILESCCCO[Si](OCC)(OCC)OC1CO1
InChIInChI=1S/C9H20O5Si/c1-4-7-13-15(11-5-2,12-6-3)14-9-8-10-9/h9H,4-8H2,1-3H3
InChIKeyHSNHVPWQPUMGKS-UHFFFAOYSA-N
XLogP1.29
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.29
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 diethyl oxiran-2-yl propyl silicate?
The IUPAC name of diethyl oxiran-2-yl propyl silicate (CID 87390747) is diethyl oxiran-2-yl propyl silicate.
What is the SMILES notation for diethyl oxiran-2-yl propyl silicate?
The canonical SMILES for diethyl oxiran-2-yl propyl silicate is CCCO[Si](OCC)(OCC)OC1CO1.
What is the InChIKey of diethyl oxiran-2-yl propyl silicate?
The InChIKey is HSNHVPWQPUMGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5Si/c1-4-7-13-15(11-5-2,12-6-3)14-9-8-10-9/h9H,4-8H2,1-3H3.
What are the key properties of diethyl oxiran-2-yl propyl silicate?
diethyl oxiran-2-yl propyl silicate has a molecular weight of 236.34 g/mol, XLogP of 1.29, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl oxiran-2-yl propyl silicate is sourced from PubChem (CID 87390747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).