triethoxy-[4-methylidene-7-(oxiran-2-ylmethoxy)heptyl]silane

C17H34O5Si — CID 151661949

IUPACtriethoxy-[4-methylidene-7-(oxiran-2-ylmethoxy)heptyl]silane
SMILESC=C(CCCOCC1CO1)CCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H34O5Si/c1-5-20-23(21-6-2,22-7-3)13-9-11-16(4)10-8-12-18-14-17-15-19-17/h17H,4-15H2,1-3H3
InChIKeyQWSIDLKEQIPJGY-UHFFFAOYSA-N
MW346.54 g/mol
LogP3.57
Rot. Bonds16

About triethoxy-[4-methylidene-7-(oxiran-2-ylmethoxy)heptyl]silane

triethoxy-[4-methylidene-7-(oxiran-2-ylmethoxy)heptyl]silane (PubChem CID 151661949) has the molecular formula C17H34O5Si and a molecular weight of 346.54 g/mol. Its IUPAC name is triethoxy-[4-methylidene-7-(oxiran-2-ylmethoxy)heptyl]silane.

Molecular Properties

Compound Nametriethoxy-[4-methylidene-7-(oxiran-2-ylmethoxy)heptyl]silane
PubChem CID151661949
Molecular FormulaC17H34O5Si
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Nametriethoxy-[4-methylidene-7-(oxiran-2-ylmethoxy)heptyl]silane
SMILESC=C(CCCOCC1CO1)CCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H34O5Si/c1-5-20-23(21-6-2,22-7-3)13-9-11-16(4)10-8-12-18-14-17-15-19-17/h17H,4-15H2,1-3H3
InChIKeyQWSIDLKEQIPJGY-UHFFFAOYSA-N
XLogP3.57
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
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-[4-methylidene-7-(oxiran-2-ylmethoxy)heptyl]silane?
The IUPAC name of triethoxy-[4-methylidene-7-(oxiran-2-ylmethoxy)heptyl]silane (CID 151661949) is triethoxy-[4-methylidene-7-(oxiran-2-ylmethoxy)heptyl]silane.
What is the SMILES notation for triethoxy-[4-methylidene-7-(oxiran-2-ylmethoxy)heptyl]silane?
The canonical SMILES for triethoxy-[4-methylidene-7-(oxiran-2-ylmethoxy)heptyl]silane is C=C(CCCOCC1CO1)CCC[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[4-methylidene-7-(oxiran-2-ylmethoxy)heptyl]silane?
The InChIKey is QWSIDLKEQIPJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O5Si/c1-5-20-23(21-6-2,22-7-3)13-9-11-16(4)10-8-12-18-14-17-15-19-17/h17H,4-15H2,1-3H3.
What are the key properties of triethoxy-[4-methylidene-7-(oxiran-2-ylmethoxy)heptyl]silane?
triethoxy-[4-methylidene-7-(oxiran-2-ylmethoxy)heptyl]silane has a molecular weight of 346.54 g/mol, XLogP of 3.57, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[4-methylidene-7-(oxiran-2-ylmethoxy)heptyl]silane is sourced from PubChem (CID 151661949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).