triethoxy-[8-(oxiran-2-yl)octyl]silane

C16H34O4Si — CID 18458412

IUPACtriethoxy-[8-(oxiran-2-yl)octyl]silane
SMILESCCO[Si](CCCCCCCCC1CO1)(OCC)OCC
InChIInChI=1S/C16H34O4Si/c1-4-18-21(19-5-2,20-6-3)14-12-10-8-7-9-11-13-16-15-17-16/h16H,4-15H2,1-3H3
InChIKeyBQOPVYVBEXOUFE-UHFFFAOYSA-N
MW318.53 g/mol
LogP4.16
Rot. Bonds15

About triethoxy-[8-(oxiran-2-yl)octyl]silane

triethoxy-[8-(oxiran-2-yl)octyl]silane (PubChem CID 18458412) has the molecular formula C16H34O4Si and a molecular weight of 318.53 g/mol. Its IUPAC name is triethoxy-[8-(oxiran-2-yl)octyl]silane.

Molecular Properties

Compound Nametriethoxy-[8-(oxiran-2-yl)octyl]silane
PubChem CID18458412
Molecular FormulaC16H34O4Si
Molecular Weight318.53 g/mol
Exact Mass318.22
IUPAC Nametriethoxy-[8-(oxiran-2-yl)octyl]silane
SMILESCCO[Si](CCCCCCCCC1CO1)(OCC)OCC
InChIInChI=1S/C16H34O4Si/c1-4-18-21(19-5-2,20-6-3)14-12-10-8-7-9-11-13-16-15-17-16/h16H,4-15H2,1-3H3
InChIKeyBQOPVYVBEXOUFE-UHFFFAOYSA-N
XLogP4.16
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 54.16
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-[8-(oxiran-2-yl)octyl]silane?
The IUPAC name of triethoxy-[8-(oxiran-2-yl)octyl]silane (CID 18458412) is triethoxy-[8-(oxiran-2-yl)octyl]silane.
What is the SMILES notation for triethoxy-[8-(oxiran-2-yl)octyl]silane?
The canonical SMILES for triethoxy-[8-(oxiran-2-yl)octyl]silane is CCO[Si](CCCCCCCCC1CO1)(OCC)OCC.
What is the InChIKey of triethoxy-[8-(oxiran-2-yl)octyl]silane?
The InChIKey is BQOPVYVBEXOUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4Si/c1-4-18-21(19-5-2,20-6-3)14-12-10-8-7-9-11-13-16-15-17-16/h16H,4-15H2,1-3H3.
What are the key properties of triethoxy-[8-(oxiran-2-yl)octyl]silane?
triethoxy-[8-(oxiran-2-yl)octyl]silane has a molecular weight of 318.53 g/mol, XLogP of 4.16, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[8-(oxiran-2-yl)octyl]silane is sourced from PubChem (CID 18458412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).