triethoxy-[4-(oxiran-2-yl)butyl]silane

C12H26O4Si — CID 11207751

IUPACtriethoxy-[4-(oxiran-2-yl)butyl]silane
SMILESCCO[Si](CCCCC1CO1)(OCC)OCC
InChIInChI=1S/C12H26O4Si/c1-4-14-17(15-5-2,16-6-3)10-8-7-9-12-11-13-12/h12H,4-11H2,1-3H3
InChIKeyHHPPHUYKUOAWJV-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.60
Rot. Bonds11

About triethoxy-[4-(oxiran-2-yl)butyl]silane

triethoxy-[4-(oxiran-2-yl)butyl]silane (PubChem CID 11207751) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is triethoxy-[4-(oxiran-2-yl)butyl]silane.

Molecular Properties

Compound Nametriethoxy-[4-(oxiran-2-yl)butyl]silane
PubChem CID11207751
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Nametriethoxy-[4-(oxiran-2-yl)butyl]silane
SMILESCCO[Si](CCCCC1CO1)(OCC)OCC
InChIInChI=1S/C12H26O4Si/c1-4-14-17(15-5-2,16-6-3)10-8-7-9-12-11-13-12/h12H,4-11H2,1-3H3
InChIKeyHHPPHUYKUOAWJV-UHFFFAOYSA-N
XLogP2.60
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 triethoxy-[4-(oxiran-2-yl)butyl]silane?
The IUPAC name of triethoxy-[4-(oxiran-2-yl)butyl]silane (CID 11207751) is triethoxy-[4-(oxiran-2-yl)butyl]silane.
What is the SMILES notation for triethoxy-[4-(oxiran-2-yl)butyl]silane?
The canonical SMILES for triethoxy-[4-(oxiran-2-yl)butyl]silane is CCO[Si](CCCCC1CO1)(OCC)OCC.
What is the InChIKey of triethoxy-[4-(oxiran-2-yl)butyl]silane?
The InChIKey is HHPPHUYKUOAWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4Si/c1-4-14-17(15-5-2,16-6-3)10-8-7-9-12-11-13-12/h12H,4-11H2,1-3H3.
What are the key properties of triethoxy-[4-(oxiran-2-yl)butyl]silane?
triethoxy-[4-(oxiran-2-yl)butyl]silane has a molecular weight of 262.42 g/mol, XLogP of 2.60, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[4-(oxiran-2-yl)butyl]silane is sourced from PubChem (CID 11207751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).