triethoxy-[1-(oxiran-2-ylmethoxy)propan-2-yl]silane

C12H26O5Si — CID 18349820

IUPACtriethoxy-[1-(oxiran-2-ylmethoxy)propan-2-yl]silane
SMILESCCO[Si](OCC)(OCC)C(C)COCC1CO1
InChIInChI=1S/C12H26O5Si/c1-5-15-18(16-6-2,17-7-3)11(4)8-13-9-12-10-14-12/h11-12H,5-10H2,1-4H3
InChIKeyZYJGMQVARFHFIB-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.84
Rot. Bonds11

About triethoxy-[1-(oxiran-2-ylmethoxy)propan-2-yl]silane

triethoxy-[1-(oxiran-2-ylmethoxy)propan-2-yl]silane (PubChem CID 18349820) has the molecular formula C12H26O5Si and a molecular weight of 278.42 g/mol. Its IUPAC name is triethoxy-[1-(oxiran-2-ylmethoxy)propan-2-yl]silane.

Molecular Properties

Compound Nametriethoxy-[1-(oxiran-2-ylmethoxy)propan-2-yl]silane
PubChem CID18349820
Molecular FormulaC12H26O5Si
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Nametriethoxy-[1-(oxiran-2-ylmethoxy)propan-2-yl]silane
SMILESCCO[Si](OCC)(OCC)C(C)COCC1CO1
InChIInChI=1S/C12H26O5Si/c1-5-15-18(16-6-2,17-7-3)11(4)8-13-9-12-10-14-12/h11-12H,5-10H2,1-4H3
InChIKeyZYJGMQVARFHFIB-UHFFFAOYSA-N
XLogP1.84
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[1-(oxiran-2-ylmethoxy)propan-2-yl]silane?
The IUPAC name of triethoxy-[1-(oxiran-2-ylmethoxy)propan-2-yl]silane (CID 18349820) is triethoxy-[1-(oxiran-2-ylmethoxy)propan-2-yl]silane.
What is the SMILES notation for triethoxy-[1-(oxiran-2-ylmethoxy)propan-2-yl]silane?
The canonical SMILES for triethoxy-[1-(oxiran-2-ylmethoxy)propan-2-yl]silane is CCO[Si](OCC)(OCC)C(C)COCC1CO1.
What is the InChIKey of triethoxy-[1-(oxiran-2-ylmethoxy)propan-2-yl]silane?
The InChIKey is ZYJGMQVARFHFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5Si/c1-5-15-18(16-6-2,17-7-3)11(4)8-13-9-12-10-14-12/h11-12H,5-10H2,1-4H3.
What are the key properties of triethoxy-[1-(oxiran-2-ylmethoxy)propan-2-yl]silane?
triethoxy-[1-(oxiran-2-ylmethoxy)propan-2-yl]silane has a molecular weight of 278.42 g/mol, XLogP of 1.84, 11 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)propan-2-yl]silane is sourced from PubChem (CID 18349820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).