methyl 2-trimethylsilyloxybut-3-enoate

C8H16O3Si — CID 156672558

IUPACmethyl 2-trimethylsilyloxybut-3-enoate
SMILESC=CC(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C8H16O3Si/c1-6-7(8(9)10-2)11-12(3,4)5/h6-7H,1H2,2-5H3
InChIKeyLDWLFJLMLNHVOB-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.57
Rot. Bonds4

About methyl 2-trimethylsilyloxybut-3-enoate

methyl 2-trimethylsilyloxybut-3-enoate (PubChem CID 156672558) has the molecular formula C8H16O3Si and a molecular weight of 188.30 g/mol. Its IUPAC name is methyl 2-trimethylsilyloxybut-3-enoate.

Molecular Properties

Compound Namemethyl 2-trimethylsilyloxybut-3-enoate
PubChem CID156672558
Molecular FormulaC8H16O3Si
Molecular Weight188.30 g/mol
Exact Mass188.09
IUPAC Namemethyl 2-trimethylsilyloxybut-3-enoate
SMILESC=CC(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C8H16O3Si/c1-6-7(8(9)10-2)11-12(3,4)5/h6-7H,1H2,2-5H3
InChIKeyLDWLFJLMLNHVOB-UHFFFAOYSA-N
XLogP1.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.57
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

methyl (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enoate
CID 21348812
2-Allyloxypropionic acid trimethylsilyl ester
CID 54107693
Methyl 2-[tert-butyl(dimethyl)silyl]oxypent-3-enoate
CID 73782471
2-Propenyl 2-(trimethylsilyloxy)propionate
CID 86667393
3-[tert-butyl(dimethyl)silyl]oxy-3H-furan-2-one
CID 129996567
2-Trimethylsilyloxyethyl but-3-enoate
CID 139889160
3-trimethylsilyloxy-3H-furan-2-one
CID 157910217
Ethyl 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 171790674
Ethyl 2-silyloxybut-3-enoate
CID 174696626
Ethyl 2-trimethylsilyloxypent-4-enoate
CID 11063854
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 11806891
methyl (Z,2R)-2-triethylsilyloxy-5-trimethylstannylpent-4-enoate
CID 44632392

Frequently Asked Questions

What is the IUPAC name of methyl 2-trimethylsilyloxybut-3-enoate?
The IUPAC name of methyl 2-trimethylsilyloxybut-3-enoate (CID 156672558) is methyl 2-trimethylsilyloxybut-3-enoate.
What is the SMILES notation for methyl 2-trimethylsilyloxybut-3-enoate?
The canonical SMILES for methyl 2-trimethylsilyloxybut-3-enoate is C=CC(O[Si](C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-trimethylsilyloxybut-3-enoate?
The InChIKey is LDWLFJLMLNHVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3Si/c1-6-7(8(9)10-2)11-12(3,4)5/h6-7H,1H2,2-5H3.
What are the key properties of methyl 2-trimethylsilyloxybut-3-enoate?
methyl 2-trimethylsilyloxybut-3-enoate has a molecular weight of 188.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-trimethylsilyloxybut-3-enoate is sourced from PubChem (CID 156672558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).