triethoxy-[1-(oxiran-2-ylmethoxy)oct-6-en-4-yl]silane

C17H34O5Si — CID 151925462

IUPACtriethoxy-[1-(oxiran-2-ylmethoxy)oct-6-en-4-yl]silane
SMILESCC=CCC(CCCOCC1CO1)[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H34O5Si/c1-5-9-11-17(12-10-13-18-14-16-15-19-16)23(20-6-2,21-7-3)22-8-4/h5,9,16-17H,6-8,10-15H2,1-4H3
InChIKeySXQUBVWZWIXZNT-UHFFFAOYSA-N
MW346.54 g/mol
LogP3.57
Rot. Bonds15

About triethoxy-[1-(oxiran-2-ylmethoxy)oct-6-en-4-yl]silane

triethoxy-[1-(oxiran-2-ylmethoxy)oct-6-en-4-yl]silane (PubChem CID 151925462) has the molecular formula C17H34O5Si and a molecular weight of 346.54 g/mol. Its IUPAC name is triethoxy-[1-(oxiran-2-ylmethoxy)oct-6-en-4-yl]silane.

Molecular Properties

Compound Nametriethoxy-[1-(oxiran-2-ylmethoxy)oct-6-en-4-yl]silane
PubChem CID151925462
Molecular FormulaC17H34O5Si
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Nametriethoxy-[1-(oxiran-2-ylmethoxy)oct-6-en-4-yl]silane
SMILESCC=CCC(CCCOCC1CO1)[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H34O5Si/c1-5-9-11-17(12-10-13-18-14-16-15-19-16)23(20-6-2,21-7-3)22-8-4/h5,9,16-17H,6-8,10-15H2,1-4H3
InChIKeySXQUBVWZWIXZNT-UHFFFAOYSA-N
XLogP3.57
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[1-(oxiran-2-ylmethoxy)oct-6-en-4-yl]silane?
The IUPAC name of triethoxy-[1-(oxiran-2-ylmethoxy)oct-6-en-4-yl]silane (CID 151925462) is triethoxy-[1-(oxiran-2-ylmethoxy)oct-6-en-4-yl]silane.
What is the SMILES notation for triethoxy-[1-(oxiran-2-ylmethoxy)oct-6-en-4-yl]silane?
The canonical SMILES for triethoxy-[1-(oxiran-2-ylmethoxy)oct-6-en-4-yl]silane is CC=CCC(CCCOCC1CO1)[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[1-(oxiran-2-ylmethoxy)oct-6-en-4-yl]silane?
The InChIKey is SXQUBVWZWIXZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O5Si/c1-5-9-11-17(12-10-13-18-14-16-15-19-16)23(20-6-2,21-7-3)22-8-4/h5,9,16-17H,6-8,10-15H2,1-4H3.
What are the key properties of triethoxy-[1-(oxiran-2-ylmethoxy)oct-6-en-4-yl]silane?
triethoxy-[1-(oxiran-2-ylmethoxy)oct-6-en-4-yl]silane has a molecular weight of 346.54 g/mol, XLogP of 3.57, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[1-(oxiran-2-ylmethoxy)oct-6-en-4-yl]silane is sourced from PubChem (CID 151925462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).