[(E,1S)-1-trimethylsilylbut-2-enyl] 2-methoxyacetate

C10H20O3Si — CID 134893592

IUPAC[(E,1S)-1-trimethylsilylbut-2-enyl] 2-methoxyacetate
SMILESC/C=C/[C@@H](OC(=O)COC)[Si](C)(C)C
InChIInChI=1S/C10H20O3Si/c1-6-7-10(14(3,4)5)13-9(11)8-12-2/h6-7,10H,8H2,1-5H3/b7-6+/t10-/m0/s1
InChIKeyRNMUAZKLCFONDU-FGEFZZPRSA-N
MW216.35 g/mol
LogP2.00
Rot. Bonds5

About [(E,1S)-1-trimethylsilylbut-2-enyl] 2-methoxyacetate

[(E,1S)-1-trimethylsilylbut-2-enyl] 2-methoxyacetate (PubChem CID 134893592) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is [(E,1S)-1-trimethylsilylbut-2-enyl] 2-methoxyacetate.

Molecular Properties

Compound Name[(E,1S)-1-trimethylsilylbut-2-enyl] 2-methoxyacetate
PubChem CID134893592
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name[(E,1S)-1-trimethylsilylbut-2-enyl] 2-methoxyacetate
SMILESC/C=C/[C@@H](OC(=O)COC)[Si](C)(C)C
InChIInChI=1S/C10H20O3Si/c1-6-7-10(14(3,4)5)13-9(11)8-12-2/h6-7,10H,8H2,1-5H3/b7-6+/t10-/m0/s1
InChIKeyRNMUAZKLCFONDU-FGEFZZPRSA-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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] acetate
CID 11322519
[(E,1S)-1-[tert-butyl(dimethyl)silyl]but-2-enyl] propanoate
CID 13289139
propan-2-yl 2-[(E)-but-2-enoxy]acetate
CID 13665204
propan-2-yl 2-[(Z)-but-2-enoxy]acetate
CID 13665205
[(E,1S)-1-trimethylsilylbut-2-enyl] acetate
CID 14715780
[(E,2R)-4-trimethylsilylbut-3-en-2-yl] 2-methoxyacetate
CID 14715813
[(E)-4-tri(propan-2-yl)silylbut-2-enyl] acetate
CID 54672436
2-[(E)-3-triethylsilylhex-2-en-4-ynoxy]acetic acid
CID 164665516
[(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] acetate
CID 166436917
Di-2-butenyl oxydiacetate
CID 134828193
2-Allyloxypropionic acid trimethylsilyl ester
CID 54107693
methyl 2-[(2Z,5Z)-9-trimethylsilylnona-2,5-dien-8-ynoxy]acetate
CID 59977335

Frequently Asked Questions

What is the IUPAC name of [(E,1S)-1-trimethylsilylbut-2-enyl] 2-methoxyacetate?
The IUPAC name of [(E,1S)-1-trimethylsilylbut-2-enyl] 2-methoxyacetate (CID 134893592) is [(E,1S)-1-trimethylsilylbut-2-enyl] 2-methoxyacetate.
What is the SMILES notation for [(E,1S)-1-trimethylsilylbut-2-enyl] 2-methoxyacetate?
The canonical SMILES for [(E,1S)-1-trimethylsilylbut-2-enyl] 2-methoxyacetate is C/C=C/[C@@H](OC(=O)COC)[Si](C)(C)C.
What is the InChIKey of [(E,1S)-1-trimethylsilylbut-2-enyl] 2-methoxyacetate?
The InChIKey is RNMUAZKLCFONDU-FGEFZZPRSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-6-7-10(14(3,4)5)13-9(11)8-12-2/h6-7,10H,8H2,1-5H3/b7-6+/t10-/m0/s1.
What are the key properties of [(E,1S)-1-trimethylsilylbut-2-enyl] 2-methoxyacetate?
[(E,1S)-1-trimethylsilylbut-2-enyl] 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,1S)-1-trimethylsilylbut-2-enyl] 2-methoxyacetate is sourced from PubChem (CID 134893592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).