triethylsilyl but-3-enoate

C10H20O2Si — CID 158687975

IUPACtriethylsilyl but-3-enoate
SMILESC=CCC(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C10H20O2Si/c1-5-9-10(11)12-13(6-2,7-3)8-4/h5H,1,6-9H2,2-4H3
InChIKeyIFZDFTWHSFRPFT-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.11
Rot. Bonds6

About triethylsilyl but-3-enoate

triethylsilyl but-3-enoate (PubChem CID 158687975) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is triethylsilyl but-3-enoate.

Molecular Properties

Compound Nametriethylsilyl but-3-enoate
PubChem CID158687975
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Nametriethylsilyl but-3-enoate
SMILESC=CCC(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C10H20O2Si/c1-5-9-10(11)12-13(6-2,7-3)8-4/h5H,1,6-9H2,2-4H3
InChIKeyIFZDFTWHSFRPFT-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.11
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'}

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Related Compounds

but-3-enoic acid;trimethylsilyl but-3-enoate
CID 159552551
5-triethylsilyloxyhepta-4,6-dien-2-one
CID 71386610
triethylsilyl 4-bromobutanoate
CID 10945872
azane;prop-2-enyl but-3-enoate
CID 88514758
imidazol-1-yl but-3-enoate
CID 174567712
N,N-diethylbut-3-enamide
CID 12545744
but-1-ene;urea
CID 87757370
(213C)pent-4-en-2-one
CID 173180315
triethylsilyl 2,2,2-trifluoroacetate
CID 11831178
N-ethyl-N-methylbut-3-enamide
CID 23466641
1-(2-ethyl-5-methylpyrazol-3-yl)but-3-en-1-one
CID 105083176
but-3-enoic acid;ethenyl propanoate
CID 157316958

Frequently Asked Questions

What is the IUPAC name of triethylsilyl but-3-enoate?
The IUPAC name of triethylsilyl but-3-enoate (CID 158687975) is triethylsilyl but-3-enoate.
What is the SMILES notation for triethylsilyl but-3-enoate?
The canonical SMILES for triethylsilyl but-3-enoate is C=CCC(=O)O[Si](CC)(CC)CC.
What is the InChIKey of triethylsilyl but-3-enoate?
The InChIKey is IFZDFTWHSFRPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-5-9-10(11)12-13(6-2,7-3)8-4/h5H,1,6-9H2,2-4H3.
What are the key properties of triethylsilyl but-3-enoate?
triethylsilyl but-3-enoate has a molecular weight of 200.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl but-3-enoate is sourced from PubChem (CID 158687975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).