propan-2-yl (Z)-4-bromo-3-trimethylsilyloxybut-2-enoate

C10H19BrO3Si — CID 10732603

IUPACpropan-2-yl (Z)-4-bromo-3-trimethylsilyloxybut-2-enoate
SMILESCC(C)OC(=O)/C=C(/CBr)O[Si](C)(C)C
InChIInChI=1S/C10H19BrO3Si/c1-8(2)13-10(12)6-9(7-11)14-15(3,4)5/h6,8H,7H2,1-5H3/b9-6-
InChIKeyKHUAJXYITZEVPR-TWGQIWQCSA-N
MW295.25 g/mol
LogP3.07
Rot. Bonds5

About propan-2-yl (Z)-4-bromo-3-trimethylsilyloxybut-2-enoate

propan-2-yl (Z)-4-bromo-3-trimethylsilyloxybut-2-enoate (PubChem CID 10732603) has the molecular formula C10H19BrO3Si and a molecular weight of 295.25 g/mol. Its IUPAC name is propan-2-yl (Z)-4-bromo-3-trimethylsilyloxybut-2-enoate.

Molecular Properties

Compound Namepropan-2-yl (Z)-4-bromo-3-trimethylsilyloxybut-2-enoate
PubChem CID10732603
Molecular FormulaC10H19BrO3Si
Molecular Weight295.25 g/mol
Exact Mass294.03
IUPAC Namepropan-2-yl (Z)-4-bromo-3-trimethylsilyloxybut-2-enoate
SMILESCC(C)OC(=O)/C=C(/CBr)O[Si](C)(C)C
InChIInChI=1S/C10H19BrO3Si/c1-8(2)13-10(12)6-9(7-11)14-15(3,4)5/h6,8H,7H2,1-5H3/b9-6-
InChIKeyKHUAJXYITZEVPR-TWGQIWQCSA-N
XLogP3.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(Trimethylsilyloxy)-2-butenoic Acid Methyl Ester
CID 2733746
Methyl 3-((trimethylsilyl)oxy)-2-butenoate
CID 5702587
Methyl 3-((trimethylsilyl)oxy)but-2-enoate
CID 6115690
Ethyl (2Z)-3-[(trimethylsilyl)oxy]but-2-enoate
CID 11084906
Ethyl 3-{[diethoxy(methyl)silyl]oxy}but-2-enoate
CID 102398
Ethyl 3-((diethoxymethylsilyl)oxy)-2-butenoate
CID 6436928
propan-2-yl (E)-4-bromo-3-[tert-butyl(dimethyl)silyl]oxybut-2-enoate
CID 10735661
Ethyl 3-((tert-butyldimethylsilyl)oxy)but-2-enoate
CID 13678189
Ethyl 3-[(trimethylsilyl)oxy]but-2-enoate
CID 54340571
Prop-2-enyl 3-trimethylsilyloxybut-2-enoate
CID 85550484
propyl (Z)-3-trimethylsilyloxybut-2-enoate
CID 140795481
ethyl (Z)-3-bromo-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate
CID 169081111

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (Z)-4-bromo-3-trimethylsilyloxybut-2-enoate?
The IUPAC name of propan-2-yl (Z)-4-bromo-3-trimethylsilyloxybut-2-enoate (CID 10732603) is propan-2-yl (Z)-4-bromo-3-trimethylsilyloxybut-2-enoate.
What is the SMILES notation for propan-2-yl (Z)-4-bromo-3-trimethylsilyloxybut-2-enoate?
The canonical SMILES for propan-2-yl (Z)-4-bromo-3-trimethylsilyloxybut-2-enoate is CC(C)OC(=O)/C=C(/CBr)O[Si](C)(C)C.
What is the InChIKey of propan-2-yl (Z)-4-bromo-3-trimethylsilyloxybut-2-enoate?
The InChIKey is KHUAJXYITZEVPR-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H19BrO3Si/c1-8(2)13-10(12)6-9(7-11)14-15(3,4)5/h6,8H,7H2,1-5H3/b9-6-.
What are the key properties of propan-2-yl (Z)-4-bromo-3-trimethylsilyloxybut-2-enoate?
propan-2-yl (Z)-4-bromo-3-trimethylsilyloxybut-2-enoate has a molecular weight of 295.25 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (Z)-4-bromo-3-trimethylsilyloxybut-2-enoate is sourced from PubChem (CID 10732603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).