bicyclo[2.2.0]hexa-1,3,5-triene;triethyl oxiran-2-ylmethyl silicate

C15H24O5Si — CID 88615929

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;triethyl oxiran-2-ylmethyl silicate
SMILESCCO[Si](OCC)(OCC)OCC1CO1.c1cc2ccc1-2
InChIInChI=1S/C9H20O5Si.C6H4/c1-4-11-15(12-5-2,13-6-3)14-8-9-7-10-9;1-2-6-4-3-5(1)6/h9H,4-8H2,1-3H3;1-4H
InChIKeyFLOBKZKPZMDWKT-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.61
Rot. Bonds9

About bicyclo[2.2.0]hexa-1,3,5-triene;triethyl oxiran-2-ylmethyl silicate

bicyclo[2.2.0]hexa-1,3,5-triene;triethyl oxiran-2-ylmethyl silicate (PubChem CID 88615929) has the molecular formula C15H24O5Si and a molecular weight of 312.44 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;triethyl oxiran-2-ylmethyl silicate.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;triethyl oxiran-2-ylmethyl silicate
PubChem CID88615929
Molecular FormulaC15H24O5Si
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;triethyl oxiran-2-ylmethyl silicate
SMILESCCO[Si](OCC)(OCC)OCC1CO1.c1cc2ccc1-2
InChIInChI=1S/C9H20O5Si.C6H4/c1-4-11-15(12-5-2,13-6-3)14-8-9-7-10-9;1-2-6-4-3-5(1)6/h9H,4-8H2,1-3H3;1-4H
InChIKeyFLOBKZKPZMDWKT-UHFFFAOYSA-N
XLogP2.61
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.61
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'}

Analyze bicyclo[2.2.0]hexa-1,3,5-triene;triethyl oxiran-2-ylmethyl silicate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;triethyl oxiran-2-ylmethyl silicate?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;triethyl oxiran-2-ylmethyl silicate (CID 88615929) is bicyclo[2.2.0]hexa-1,3,5-triene;triethyl oxiran-2-ylmethyl silicate.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;triethyl oxiran-2-ylmethyl silicate?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;triethyl oxiran-2-ylmethyl silicate is CCO[Si](OCC)(OCC)OCC1CO1.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;triethyl oxiran-2-ylmethyl silicate?
The InChIKey is FLOBKZKPZMDWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5Si.C6H4/c1-4-11-15(12-5-2,13-6-3)14-8-9-7-10-9;1-2-6-4-3-5(1)6/h9H,4-8H2,1-3H3;1-4H.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;triethyl oxiran-2-ylmethyl silicate?
bicyclo[2.2.0]hexa-1,3,5-triene;triethyl oxiran-2-ylmethyl silicate has a molecular weight of 312.44 g/mol, XLogP of 2.61, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;triethyl oxiran-2-ylmethyl silicate is sourced from PubChem (CID 88615929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).