triethoxy(3-ethoxyprop-1-ynyl)silane

C11H22O4Si — CID 139978047

IUPACtriethoxy(3-ethoxyprop-1-ynyl)silane
SMILESCCOCC#C[Si](OCC)(OCC)OCC
InChIInChI=1S/C11H22O4Si/c1-5-12-10-9-11-16(13-6-2,14-7-3)15-8-4/h5-8,10H2,1-4H3
InChIKeyVAUVNRZLPKTIRJ-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.61
Rot. Bonds8

About triethoxy(3-ethoxyprop-1-ynyl)silane

triethoxy(3-ethoxyprop-1-ynyl)silane (PubChem CID 139978047) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is triethoxy(3-ethoxyprop-1-ynyl)silane.

Molecular Properties

Compound Nametriethoxy(3-ethoxyprop-1-ynyl)silane
PubChem CID139978047
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Nametriethoxy(3-ethoxyprop-1-ynyl)silane
SMILESCCOCC#C[Si](OCC)(OCC)OCC
InChIInChI=1S/C11H22O4Si/c1-5-12-10-9-11-16(13-6-2,14-7-3)15-8-4/h5-8,10H2,1-4H3
InChIKeyVAUVNRZLPKTIRJ-UHFFFAOYSA-N
XLogP1.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethoxy(3-ethoxyprop-1-ynyl)silane?
The IUPAC name of triethoxy(3-ethoxyprop-1-ynyl)silane (CID 139978047) is triethoxy(3-ethoxyprop-1-ynyl)silane.
What is the SMILES notation for triethoxy(3-ethoxyprop-1-ynyl)silane?
The canonical SMILES for triethoxy(3-ethoxyprop-1-ynyl)silane is CCOCC#C[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy(3-ethoxyprop-1-ynyl)silane?
The InChIKey is VAUVNRZLPKTIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-5-12-10-9-11-16(13-6-2,14-7-3)15-8-4/h5-8,10H2,1-4H3.
What are the key properties of triethoxy(3-ethoxyprop-1-ynyl)silane?
triethoxy(3-ethoxyprop-1-ynyl)silane has a molecular weight of 246.38 g/mol, XLogP of 1.61, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(3-ethoxyprop-1-ynyl)silane is sourced from PubChem (CID 139978047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).