3-[diethyl(methyl)silyl]propyl acetate

C10H22O2Si — CID 101001894

IUPAC3-[diethyl(methyl)silyl]propyl acetate
SMILESCC[Si](C)(CC)CCCOC(C)=O
InChIInChI=1S/C10H22O2Si/c1-5-13(4,6-2)9-7-8-12-10(3)11/h5-9H2,1-4H3
InChIKeyAKZZSFDQYSMXLU-UHFFFAOYSA-N
MW202.37 g/mol
LogP3.06
Rot. Bonds6

About 3-[diethyl(methyl)silyl]propyl acetate

3-[diethyl(methyl)silyl]propyl acetate (PubChem CID 101001894) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is 3-[diethyl(methyl)silyl]propyl acetate.

Molecular Properties

Compound Name3-[diethyl(methyl)silyl]propyl acetate
PubChem CID101001894
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Name3-[diethyl(methyl)silyl]propyl acetate
SMILESCC[Si](C)(CC)CCCOC(C)=O
InChIInChI=1S/C10H22O2Si/c1-5-13(4,6-2)9-7-8-12-10(3)11/h5-9H2,1-4H3
InChIKeyAKZZSFDQYSMXLU-UHFFFAOYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[diethyl(methyl)silyl]propyl acetate 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

3-[hydroxy(dimethyl)silyl]propyl acetate
CID 71325011
3-[acetyloxy(dimethyl)silyl]propyl acetate
CID 18787770
11-acetyloxyundecyl acetate
CID 87784419
3-[chloro(diethoxy)silyl]propyl acetate
CID 87213804
4-(2-triethylsilylethoxy)butyl acetate
CID 18469580
CID 87429945
CID 87429945
CID 159701402
CID 159701402
CID 159328585
CID 159328585
acetic acid;butyl acetate
CID 158450873
2-acetyloxyethyl acetate;hexane
CID 137406148
alumane;hexyl acetate
CID 174832794
magnesium;hydride;pentyl acetate
CID 174803356

Frequently Asked Questions

What is the IUPAC name of 3-[diethyl(methyl)silyl]propyl acetate?
The IUPAC name of 3-[diethyl(methyl)silyl]propyl acetate (CID 101001894) is 3-[diethyl(methyl)silyl]propyl acetate.
What is the SMILES notation for 3-[diethyl(methyl)silyl]propyl acetate?
The canonical SMILES for 3-[diethyl(methyl)silyl]propyl acetate is CC[Si](C)(CC)CCCOC(C)=O.
What is the InChIKey of 3-[diethyl(methyl)silyl]propyl acetate?
The InChIKey is AKZZSFDQYSMXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2Si/c1-5-13(4,6-2)9-7-8-12-10(3)11/h5-9H2,1-4H3.
What are the key properties of 3-[diethyl(methyl)silyl]propyl acetate?
3-[diethyl(methyl)silyl]propyl acetate has a molecular weight of 202.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethyl(methyl)silyl]propyl acetate is sourced from PubChem (CID 101001894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).