triethoxy-[3-(propoxymethyl)oxiran-2-yl]silane

C12H26O5Si — CID 87636252

IUPACtriethoxy-[3-(propoxymethyl)oxiran-2-yl]silane
SMILESCCCOCC1OC1[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H26O5Si/c1-5-9-13-10-11-12(17-11)18(14-6-2,15-7-3)16-8-4/h11-12H,5-10H2,1-4H3
InChIKeyMTLQAUMVVIXKMI-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.77
Rot. Bonds11

About triethoxy-[3-(propoxymethyl)oxiran-2-yl]silane

triethoxy-[3-(propoxymethyl)oxiran-2-yl]silane (PubChem CID 87636252) has the molecular formula C12H26O5Si and a molecular weight of 278.42 g/mol. Its IUPAC name is triethoxy-[3-(propoxymethyl)oxiran-2-yl]silane.

Molecular Properties

Compound Nametriethoxy-[3-(propoxymethyl)oxiran-2-yl]silane
PubChem CID87636252
Molecular FormulaC12H26O5Si
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Nametriethoxy-[3-(propoxymethyl)oxiran-2-yl]silane
SMILESCCCOCC1OC1[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H26O5Si/c1-5-9-13-10-11-12(17-11)18(14-6-2,15-7-3)16-8-4/h11-12H,5-10H2,1-4H3
InChIKeyMTLQAUMVVIXKMI-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-(propoxymethyl)oxiran-2-yl]silane?
The IUPAC name of triethoxy-[3-(propoxymethyl)oxiran-2-yl]silane (CID 87636252) is triethoxy-[3-(propoxymethyl)oxiran-2-yl]silane.
What is the SMILES notation for triethoxy-[3-(propoxymethyl)oxiran-2-yl]silane?
The canonical SMILES for triethoxy-[3-(propoxymethyl)oxiran-2-yl]silane is CCCOCC1OC1[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[3-(propoxymethyl)oxiran-2-yl]silane?
The InChIKey is MTLQAUMVVIXKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5Si/c1-5-9-13-10-11-12(17-11)18(14-6-2,15-7-3)16-8-4/h11-12H,5-10H2,1-4H3.
What are the key properties of triethoxy-[3-(propoxymethyl)oxiran-2-yl]silane?
triethoxy-[3-(propoxymethyl)oxiran-2-yl]silane has a molecular weight of 278.42 g/mol, XLogP of 1.77, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-(propoxymethyl)oxiran-2-yl]silane is sourced from PubChem (CID 87636252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).