[dimethoxy(methyl)silyl] propanoate

C6H14O4Si — CID 87595419

IUPAC[dimethoxy(methyl)silyl] propanoate
SMILESCCC(=O)O[Si](C)(OC)OC
InChIInChI=1S/C6H14O4Si/c1-5-6(7)10-11(4,8-2)9-3/h5H2,1-4H3
InChIKeyKGNRNQPPAWSJHJ-UHFFFAOYSA-N
MW178.26 g/mol
LogP0.80
Rot. Bonds4

About [dimethoxy(methyl)silyl] propanoate

[dimethoxy(methyl)silyl] propanoate (PubChem CID 87595419) has the molecular formula C6H14O4Si and a molecular weight of 178.26 g/mol. Its IUPAC name is [dimethoxy(methyl)silyl] propanoate.

Molecular Properties

Compound Name[dimethoxy(methyl)silyl] propanoate
PubChem CID87595419
Molecular FormulaC6H14O4Si
Molecular Weight178.26 g/mol
Exact Mass178.07
IUPAC Name[dimethoxy(methyl)silyl] propanoate
SMILESCCC(=O)O[Si](C)(OC)OC
InChIInChI=1S/C6H14O4Si/c1-5-6(7)10-11(4,8-2)9-3/h5H2,1-4H3
InChIKeyKGNRNQPPAWSJHJ-UHFFFAOYSA-N
XLogP0.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [dimethoxy(methyl)silyl] propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethoxysilyl propanoate
CID 87655017
[dibromo(propanoyloxy)silyl] propanoate
CID 139686973
[dimethyl(propoxy)silyl] propanoate
CID 23534071
triacetyloxysilyl propanoate
CID 139651068
tripropylsilyl propanoate
CID 604402
propanoyl (113C)propanoate
CID 91179573
CID 87773794
CID 87773794
methyl propanoate;dihydrochloride
CID 140968159
CID 159416386
CID 159416386
trimethylsilylmethylsilyl propanoate
CID 173252612
di(propanoyloxy)alumanyl propanoate
CID 16703977
CID 45052167
CID 45052167

Frequently Asked Questions

What is the IUPAC name of [dimethoxy(methyl)silyl] propanoate?
The IUPAC name of [dimethoxy(methyl)silyl] propanoate (CID 87595419) is [dimethoxy(methyl)silyl] propanoate.
What is the SMILES notation for [dimethoxy(methyl)silyl] propanoate?
The canonical SMILES for [dimethoxy(methyl)silyl] propanoate is CCC(=O)O[Si](C)(OC)OC.
What is the InChIKey of [dimethoxy(methyl)silyl] propanoate?
The InChIKey is KGNRNQPPAWSJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4Si/c1-5-6(7)10-11(4,8-2)9-3/h5H2,1-4H3.
What are the key properties of [dimethoxy(methyl)silyl] propanoate?
[dimethoxy(methyl)silyl] propanoate has a molecular weight of 178.26 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethoxy(methyl)silyl] propanoate is sourced from PubChem (CID 87595419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).