2-trimethylsilyloxyethyl but-3-enoate

C9H18O3Si — CID 139889160

IUPAC2-trimethylsilyloxyethyl but-3-enoate
SMILESC=CCC(=O)OCCO[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-5-6-9(10)11-7-8-12-13(2,3)4/h5H,1,6-8H2,2-4H3
InChIKeyAQBSWUVMWOBYJA-UHFFFAOYSA-N
MW202.33 g/mol
LogP1.96
Rot. Bonds6

About 2-trimethylsilyloxyethyl but-3-enoate

2-trimethylsilyloxyethyl but-3-enoate (PubChem CID 139889160) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is 2-trimethylsilyloxyethyl but-3-enoate.

Molecular Properties

Compound Name2-trimethylsilyloxyethyl but-3-enoate
PubChem CID139889160
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Name2-trimethylsilyloxyethyl but-3-enoate
SMILESC=CCC(=O)OCCO[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-5-6-9(10)11-7-8-12-13(2,3)4/h5H,1,6-8H2,2-4H3
InChIKeyAQBSWUVMWOBYJA-UHFFFAOYSA-N
XLogP1.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-4-trimethylsilylbut-3-enoate
CID 11769253
Ethyl 3-triethylsilylbut-3-enoate
CID 146162379
Ethyl 2-trimethylsilylbut-3-enoate
CID 13658179
Ethyl 5-trimethylsilylhexa-3,4-dienoate
CID 14691754
[(E)-4-triethylsilylbut-3-enyl] acetate
CID 18469590
Ethyl 2-triethylsilylbut-3-enoate
CID 145865774
ethyl (E)-2,4-bis(trimethylsilyl)but-3-enoate
CID 145865777
ethyl (E)-2-triethylsilyl-4-trimethylsilylbut-3-enoate
CID 145865778
Vinyl acetic acid-2-ethoxyethylester
CID 21316987
CID 22971903
CID 22971903
CID 54077657
CID 54077657
Methyl 4-trimethylsilyloxybut-3-enoate
CID 57064659

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilyloxyethyl but-3-enoate?
The IUPAC name of 2-trimethylsilyloxyethyl but-3-enoate (CID 139889160) is 2-trimethylsilyloxyethyl but-3-enoate.
What is the SMILES notation for 2-trimethylsilyloxyethyl but-3-enoate?
The canonical SMILES for 2-trimethylsilyloxyethyl but-3-enoate is C=CCC(=O)OCCO[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilyloxyethyl but-3-enoate?
The InChIKey is AQBSWUVMWOBYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-5-6-9(10)11-7-8-12-13(2,3)4/h5H,1,6-8H2,2-4H3.
What are the key properties of 2-trimethylsilyloxyethyl but-3-enoate?
2-trimethylsilyloxyethyl but-3-enoate has a molecular weight of 202.33 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyloxyethyl but-3-enoate is sourced from PubChem (CID 139889160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).