3-(trimethylsilylmethyl)but-3-enyl acetate

C10H20O2Si — CID 12841797

IUPAC3-(trimethylsilylmethyl)but-3-enyl acetate
SMILESC=C(CCOC(C)=O)C[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-9(8-13(3,4)5)6-7-12-10(2)11/h1,6-8H2,2-5H3
InChIKeyLFSBZEMKZWANIF-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.83
Rot. Bonds5

About 3-(trimethylsilylmethyl)but-3-enyl acetate

3-(trimethylsilylmethyl)but-3-enyl acetate (PubChem CID 12841797) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-(trimethylsilylmethyl)but-3-enyl acetate.

Molecular Properties

Compound Name3-(trimethylsilylmethyl)but-3-enyl acetate
PubChem CID12841797
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name3-(trimethylsilylmethyl)but-3-enyl acetate
SMILESC=C(CCOC(C)=O)C[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-9(8-13(3,4)5)6-7-12-10(2)11/h1,6-8H2,2-5H3
InChIKeyLFSBZEMKZWANIF-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(trimethylsilylmethyl)but-3-enyl 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

acetyl 4-acetyloxy-2-methylidenebutanoate
CID 122553711
(3-amino-3-oxopropyl) acetate
CID 19981550
(3-chloro-4-methylpent-3-enyl) acetate
CID 142889748
3-acetamidobut-3-enyl acetate
CID 130179468
7-chlorooct-7-enyl acetate
CID 24722134
trimethyl-(8-methyl-2-methylidenenon-8-enyl)silane
CID 84820166
2-acetyloxyethyl acetate;buta-1,3-diene
CID 87510767
3-[acetyloxy(dimethyl)silyl]propyl acetate
CID 18787770
(3-acetyl-4-methylpent-3-enyl) acetate
CID 140995275
2-(2-prop-1-en-2-yloxyethoxy)ethyl acetate
CID 161380709
[3-methylidene-7-(4-methylphenyl)heptyl] acetate
CID 143300783
acetic acid;2-acetyloxyethyl acetate;azane
CID 18969564

Frequently Asked Questions

What is the IUPAC name of 3-(trimethylsilylmethyl)but-3-enyl acetate?
The IUPAC name of 3-(trimethylsilylmethyl)but-3-enyl acetate (CID 12841797) is 3-(trimethylsilylmethyl)but-3-enyl acetate.
What is the SMILES notation for 3-(trimethylsilylmethyl)but-3-enyl acetate?
The canonical SMILES for 3-(trimethylsilylmethyl)but-3-enyl acetate is C=C(CCOC(C)=O)C[Si](C)(C)C.
What is the InChIKey of 3-(trimethylsilylmethyl)but-3-enyl acetate?
The InChIKey is LFSBZEMKZWANIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-9(8-13(3,4)5)6-7-12-10(2)11/h1,6-8H2,2-5H3.
What are the key properties of 3-(trimethylsilylmethyl)but-3-enyl acetate?
3-(trimethylsilylmethyl)but-3-enyl acetate has a molecular weight of 200.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trimethylsilylmethyl)but-3-enyl acetate is sourced from PubChem (CID 12841797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).