butan-2-yloxy-diethoxy-[2-(oxiran-2-yl)ethyl]silane

C12H26O4Si — CID 175371558

IUPACbutan-2-yloxy-diethoxy-[2-(oxiran-2-yl)ethyl]silane
SMILESCCO[Si](CCC1CO1)(OCC)OC(C)CC
InChIInChI=1S/C12H26O4Si/c1-5-11(4)16-17(14-6-2,15-7-3)9-8-12-10-13-12/h11-12H,5-10H2,1-4H3
InChIKeyJBGFJGGKZKBWMY-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.60
Rot. Bonds10

About butan-2-yloxy-diethoxy-[2-(oxiran-2-yl)ethyl]silane

butan-2-yloxy-diethoxy-[2-(oxiran-2-yl)ethyl]silane (PubChem CID 175371558) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is butan-2-yloxy-diethoxy-[2-(oxiran-2-yl)ethyl]silane.

Molecular Properties

Compound Namebutan-2-yloxy-diethoxy-[2-(oxiran-2-yl)ethyl]silane
PubChem CID175371558
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Namebutan-2-yloxy-diethoxy-[2-(oxiran-2-yl)ethyl]silane
SMILESCCO[Si](CCC1CO1)(OCC)OC(C)CC
InChIInChI=1S/C12H26O4Si/c1-5-11(4)16-17(14-6-2,15-7-3)9-8-12-10-13-12/h11-12H,5-10H2,1-4H3
InChIKeyJBGFJGGKZKBWMY-UHFFFAOYSA-N
XLogP2.60
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butan-2-yloxy-diethoxy-[2-(oxiran-2-yl)ethyl]silane 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 butan-2-yloxy-diethoxy-[2-(oxiran-2-yl)ethyl]silane?
The IUPAC name of butan-2-yloxy-diethoxy-[2-(oxiran-2-yl)ethyl]silane (CID 175371558) is butan-2-yloxy-diethoxy-[2-(oxiran-2-yl)ethyl]silane.
What is the SMILES notation for butan-2-yloxy-diethoxy-[2-(oxiran-2-yl)ethyl]silane?
The canonical SMILES for butan-2-yloxy-diethoxy-[2-(oxiran-2-yl)ethyl]silane is CCO[Si](CCC1CO1)(OCC)OC(C)CC.
What is the InChIKey of butan-2-yloxy-diethoxy-[2-(oxiran-2-yl)ethyl]silane?
The InChIKey is JBGFJGGKZKBWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4Si/c1-5-11(4)16-17(14-6-2,15-7-3)9-8-12-10-13-12/h11-12H,5-10H2,1-4H3.
What are the key properties of butan-2-yloxy-diethoxy-[2-(oxiran-2-yl)ethyl]silane?
butan-2-yloxy-diethoxy-[2-(oxiran-2-yl)ethyl]silane has a molecular weight of 262.42 g/mol, XLogP of 2.60, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxy-diethoxy-[2-(oxiran-2-yl)ethyl]silane is sourced from PubChem (CID 175371558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).