triethoxy-[3-(oxiran-2-ylmethoxy)oct-5-en-4-yl]silane

C17H34O5Si — CID 150053287

IUPACtriethoxy-[3-(oxiran-2-ylmethoxy)oct-5-en-4-yl]silane
SMILESCCC=CC(C(CC)OCC1CO1)[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H34O5Si/c1-6-11-12-17(16(7-2)19-14-15-13-18-15)23(20-8-3,21-9-4)22-10-5/h11-12,15-17H,6-10,13-14H2,1-5H3
InChIKeyDLTKLQCTILGCRO-UHFFFAOYSA-N
MW346.54 g/mol
LogP3.57
Rot. Bonds14

About triethoxy-[3-(oxiran-2-ylmethoxy)oct-5-en-4-yl]silane

triethoxy-[3-(oxiran-2-ylmethoxy)oct-5-en-4-yl]silane (PubChem CID 150053287) has the molecular formula C17H34O5Si and a molecular weight of 346.54 g/mol. Its IUPAC name is triethoxy-[3-(oxiran-2-ylmethoxy)oct-5-en-4-yl]silane.

Molecular Properties

Compound Nametriethoxy-[3-(oxiran-2-ylmethoxy)oct-5-en-4-yl]silane
PubChem CID150053287
Molecular FormulaC17H34O5Si
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Nametriethoxy-[3-(oxiran-2-ylmethoxy)oct-5-en-4-yl]silane
SMILESCCC=CC(C(CC)OCC1CO1)[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H34O5Si/c1-6-11-12-17(16(7-2)19-14-15-13-18-15)23(20-8-3,21-9-4)22-10-5/h11-12,15-17H,6-10,13-14H2,1-5H3
InChIKeyDLTKLQCTILGCRO-UHFFFAOYSA-N
XLogP3.57
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[3-(oxiran-2-ylmethoxy)oct-5-en-4-yl]silane?
The IUPAC name of triethoxy-[3-(oxiran-2-ylmethoxy)oct-5-en-4-yl]silane (CID 150053287) is triethoxy-[3-(oxiran-2-ylmethoxy)oct-5-en-4-yl]silane.
What is the SMILES notation for triethoxy-[3-(oxiran-2-ylmethoxy)oct-5-en-4-yl]silane?
The canonical SMILES for triethoxy-[3-(oxiran-2-ylmethoxy)oct-5-en-4-yl]silane is CCC=CC(C(CC)OCC1CO1)[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[3-(oxiran-2-ylmethoxy)oct-5-en-4-yl]silane?
The InChIKey is DLTKLQCTILGCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O5Si/c1-6-11-12-17(16(7-2)19-14-15-13-18-15)23(20-8-3,21-9-4)22-10-5/h11-12,15-17H,6-10,13-14H2,1-5H3.
What are the key properties of triethoxy-[3-(oxiran-2-ylmethoxy)oct-5-en-4-yl]silane?
triethoxy-[3-(oxiran-2-ylmethoxy)oct-5-en-4-yl]silane has a molecular weight of 346.54 g/mol, XLogP of 3.57, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-(oxiran-2-ylmethoxy)oct-5-en-4-yl]silane is sourced from PubChem (CID 150053287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).