2-(oxiran-2-ylmethoxy)butyl-diphenoxysilane

C19H24O4Si — CID 173281552

IUPAC2-(oxiran-2-ylmethoxy)butyl-diphenoxysilane
SMILESCCC(C[SiH](Oc1ccccc1)Oc1ccccc1)OCC1CO1
InChIInChI=1S/C19H24O4Si/c1-2-16(20-13-19-14-21-19)15-24(22-17-9-5-3-6-10-17)23-18-11-7-4-8-12-18/h3-12,16,19,24H,2,13-15H2,1H3
InChIKeyPFGWPTITSZMECF-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.56
Rot. Bonds10

About 2-(oxiran-2-ylmethoxy)butyl-diphenoxysilane

2-(oxiran-2-ylmethoxy)butyl-diphenoxysilane (PubChem CID 173281552) has the molecular formula C19H24O4Si and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxy)butyl-diphenoxysilane.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxy)butyl-diphenoxysilane
PubChem CID173281552
Molecular FormulaC19H24O4Si
Molecular Weight344.48 g/mol
Exact Mass344.14
IUPAC Name2-(oxiran-2-ylmethoxy)butyl-diphenoxysilane
SMILESCCC(C[SiH](Oc1ccccc1)Oc1ccccc1)OCC1CO1
InChIInChI=1S/C19H24O4Si/c1-2-16(20-13-19-14-21-19)15-24(22-17-9-5-3-6-10-17)23-18-11-7-4-8-12-18/h3-12,16,19,24H,2,13-15H2,1H3
InChIKeyPFGWPTITSZMECF-UHFFFAOYSA-N
XLogP3.56
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.56
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxy)butyl-diphenoxysilane?
The IUPAC name of 2-(oxiran-2-ylmethoxy)butyl-diphenoxysilane (CID 173281552) is 2-(oxiran-2-ylmethoxy)butyl-diphenoxysilane.
What is the SMILES notation for 2-(oxiran-2-ylmethoxy)butyl-diphenoxysilane?
The canonical SMILES for 2-(oxiran-2-ylmethoxy)butyl-diphenoxysilane is CCC(C[SiH](Oc1ccccc1)Oc1ccccc1)OCC1CO1.
What is the InChIKey of 2-(oxiran-2-ylmethoxy)butyl-diphenoxysilane?
The InChIKey is PFGWPTITSZMECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4Si/c1-2-16(20-13-19-14-21-19)15-24(22-17-9-5-3-6-10-17)23-18-11-7-4-8-12-18/h3-12,16,19,24H,2,13-15H2,1H3.
What are the key properties of 2-(oxiran-2-ylmethoxy)butyl-diphenoxysilane?
2-(oxiran-2-ylmethoxy)butyl-diphenoxysilane has a molecular weight of 344.48 g/mol, XLogP of 3.56, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxy)butyl-diphenoxysilane is sourced from PubChem (CID 173281552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).