1-ethylsilylethyl formate

C5H12O2Si — CID 173088725

IUPAC1-ethylsilylethyl formate
SMILESCC[SiH2]C(C)OC=O
InChIInChI=1S/C5H12O2Si/c1-3-8-5(2)7-4-6/h4-5H,3,8H2,1-2H3
InChIKeyMVXOYUQZULOOBW-UHFFFAOYSA-N
MW132.24 g/mol
LogP0.11
Rot. Bonds4

About 1-ethylsilylethyl formate

1-ethylsilylethyl formate (PubChem CID 173088725) has the molecular formula C5H12O2Si and a molecular weight of 132.24 g/mol. Its IUPAC name is 1-ethylsilylethyl formate.

Molecular Properties

Compound Name1-ethylsilylethyl formate
PubChem CID173088725
Molecular FormulaC5H12O2Si
Molecular Weight132.24 g/mol
Exact Mass132.06
IUPAC Name1-ethylsilylethyl formate
SMILESCC[SiH2]C(C)OC=O
InChIInChI=1S/C5H12O2Si/c1-3-8-5(2)7-4-6/h4-5H,3,8H2,1-2H3
InChIKeyMVXOYUQZULOOBW-UHFFFAOYSA-N
XLogP0.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.24
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsilylethyl formate?
The IUPAC name of 1-ethylsilylethyl formate (CID 173088725) is 1-ethylsilylethyl formate.
What is the SMILES notation for 1-ethylsilylethyl formate?
The canonical SMILES for 1-ethylsilylethyl formate is CC[SiH2]C(C)OC=O.
What is the InChIKey of 1-ethylsilylethyl formate?
The InChIKey is MVXOYUQZULOOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2Si/c1-3-8-5(2)7-4-6/h4-5H,3,8H2,1-2H3.
What are the key properties of 1-ethylsilylethyl formate?
1-ethylsilylethyl formate has a molecular weight of 132.24 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsilylethyl formate is sourced from PubChem (CID 173088725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).