diethoxymethyl(ethynyl)silane

C7H14O2Si — CID 152520440

IUPACdiethoxymethyl(ethynyl)silane
SMILESC#C[SiH2]C(OCC)OCC
InChIInChI=1S/C7H14O2Si/c1-4-8-7(9-5-2)10-6-3/h3,7H,4-5,10H2,1-2H3
InChIKeyYHKGVSZESVOEPJ-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.10
Rot. Bonds5

About diethoxymethyl(ethynyl)silane

diethoxymethyl(ethynyl)silane (PubChem CID 152520440) has the molecular formula C7H14O2Si and a molecular weight of 158.27 g/mol. Its IUPAC name is diethoxymethyl(ethynyl)silane.

Molecular Properties

Compound Namediethoxymethyl(ethynyl)silane
PubChem CID152520440
Molecular FormulaC7H14O2Si
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Namediethoxymethyl(ethynyl)silane
SMILESC#C[SiH2]C(OCC)OCC
InChIInChI=1S/C7H14O2Si/c1-4-8-7(9-5-2)10-6-3/h3,7H,4-5,10H2,1-2H3
InChIKeyYHKGVSZESVOEPJ-UHFFFAOYSA-N
XLogP0.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

diethoxymethyl(isocyanatomethyl)silane;silane
CID 174823634
diethoxymethyl-[3-(diethoxymethylsilyl)propyl]silane
CID 123160083
3-ethoxyoct-1-yne
CID 20555693
diethoxymethyl-[8-(diethoxymethylsilyl)octyl]silane
CID 123758239
3-(diethoxymethylsilyl)propanenitrile
CID 154197522
diethoxymethylsilylmethyl(trimethyl)silane
CID 154083380
diethoxymethyl(2,2-dimethylpropyl)silane
CID 149151439
CID 162472049
CID 162472049
1,1-diethoxypent-4-yn-2-amine
CID 79496062
diethoxymethyl-diethoxy-trimethylsilylphosphanium
CID 19379614
diethoxymethyl(2-isocyanatoethyl)silane
CID 154128552
5,5-diethoxy-4-methylpent-3-en-1-yne
CID 3021755

Frequently Asked Questions

What is the IUPAC name of diethoxymethyl(ethynyl)silane?
The IUPAC name of diethoxymethyl(ethynyl)silane (CID 152520440) is diethoxymethyl(ethynyl)silane.
What is the SMILES notation for diethoxymethyl(ethynyl)silane?
The canonical SMILES for diethoxymethyl(ethynyl)silane is C#C[SiH2]C(OCC)OCC.
What is the InChIKey of diethoxymethyl(ethynyl)silane?
The InChIKey is YHKGVSZESVOEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2Si/c1-4-8-7(9-5-2)10-6-3/h3,7H,4-5,10H2,1-2H3.
What are the key properties of diethoxymethyl(ethynyl)silane?
diethoxymethyl(ethynyl)silane has a molecular weight of 158.27 g/mol, XLogP of 0.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethyl(ethynyl)silane is sourced from PubChem (CID 152520440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).