[(E,2S)-4-trimethylsilylbut-3-en-2-yl] 2-methoxyacetate

C10H20O3Si — CID 14715815

IUPAC[(E,2S)-4-trimethylsilylbut-3-en-2-yl] 2-methoxyacetate
SMILESCOCC(=O)O[C@@H](C)/C=C/[Si](C)(C)C
InChIInChI=1S/C10H20O3Si/c1-9(6-7-14(3,4)5)13-10(11)8-12-2/h6-7,9H,8H2,1-5H3/b7-6+/t9-/m0/s1
InChIKeyKSNWUSITRZCZKA-UCUJLANTSA-N
MW216.35 g/mol
LogP2.00
Rot. Bonds5

About [(E,2S)-4-trimethylsilylbut-3-en-2-yl] 2-methoxyacetate

[(E,2S)-4-trimethylsilylbut-3-en-2-yl] 2-methoxyacetate (PubChem CID 14715815) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is [(E,2S)-4-trimethylsilylbut-3-en-2-yl] 2-methoxyacetate.

Molecular Properties

Compound Name[(E,2S)-4-trimethylsilylbut-3-en-2-yl] 2-methoxyacetate
PubChem CID14715815
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name[(E,2S)-4-trimethylsilylbut-3-en-2-yl] 2-methoxyacetate
SMILESCOCC(=O)O[C@@H](C)/C=C/[Si](C)(C)C
InChIInChI=1S/C10H20O3Si/c1-9(6-7-14(3,4)5)13-10(11)8-12-2/h6-7,9H,8H2,1-5H3/b7-6+/t9-/m0/s1
InChIKeyKSNWUSITRZCZKA-UCUJLANTSA-N
XLogP2.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Propen-1-ol, 2-(trimethylsilyl)methyl-, acetate
CID 552360
Methyl 2-but-3-en-2-yloxyacetate
CID 13584105
[(E)-4-trimethylsilylbut-3-en-2-yl] acetate
CID 14715792
[(E,2R)-4-trimethylsilylbut-3-en-2-yl] acetate
CID 14715793
[(E,2R)-4-trimethylsilylbut-3-en-2-yl] 2-methoxyacetate
CID 14715813
[(E,1S)-1-trimethylsilylbut-2-enyl] 2-methoxyacetate
CID 134893592
[(Z)-1-trimethylsilylpent-1-en-3-yl] acetate
CID 135049407
Axsoxaukezneqq-uhfffaoysa-
CID 23272992
Butyl 2-but-3-en-2-yloxyacetate
CID 13005702
tert-Butyl 2-(but-3-en-2-yloxy)acetate
CID 13005705
2-Allyloxypropionic acid trimethylsilyl ester
CID 54107693
Penta-1,4-dien-3-yl 2-methoxyacetate
CID 59815190

Frequently Asked Questions

What is the IUPAC name of [(E,2S)-4-trimethylsilylbut-3-en-2-yl] 2-methoxyacetate?
The IUPAC name of [(E,2S)-4-trimethylsilylbut-3-en-2-yl] 2-methoxyacetate (CID 14715815) is [(E,2S)-4-trimethylsilylbut-3-en-2-yl] 2-methoxyacetate.
What is the SMILES notation for [(E,2S)-4-trimethylsilylbut-3-en-2-yl] 2-methoxyacetate?
The canonical SMILES for [(E,2S)-4-trimethylsilylbut-3-en-2-yl] 2-methoxyacetate is COCC(=O)O[C@@H](C)/C=C/[Si](C)(C)C.
What is the InChIKey of [(E,2S)-4-trimethylsilylbut-3-en-2-yl] 2-methoxyacetate?
The InChIKey is KSNWUSITRZCZKA-UCUJLANTSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-9(6-7-14(3,4)5)13-10(11)8-12-2/h6-7,9H,8H2,1-5H3/b7-6+/t9-/m0/s1.
What are the key properties of [(E,2S)-4-trimethylsilylbut-3-en-2-yl] 2-methoxyacetate?
[(E,2S)-4-trimethylsilylbut-3-en-2-yl] 2-methoxyacetate has a molecular weight of 216.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2S)-4-trimethylsilylbut-3-en-2-yl] 2-methoxyacetate is sourced from PubChem (CID 14715815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).