methyl (Z)-4-chloro-3-trimethylsilyloxybut-2-enoate

C8H15ClO3Si — CID 86747713

IUPACmethyl (Z)-4-chloro-3-trimethylsilyloxybut-2-enoate
SMILESCOC(=O)/C=C(/CCl)O[Si](C)(C)C
InChIInChI=1S/C8H15ClO3Si/c1-11-8(10)5-7(6-9)12-13(2,3)4/h5H,6H2,1-4H3/b7-5-
InChIKeyQXHFQLCHBUARCF-ALCCZGGFSA-N
MW222.74 g/mol
LogP2.13
Rot. Bonds4

About methyl (Z)-4-chloro-3-trimethylsilyloxybut-2-enoate

methyl (Z)-4-chloro-3-trimethylsilyloxybut-2-enoate (PubChem CID 86747713) has the molecular formula C8H15ClO3Si and a molecular weight of 222.74 g/mol. Its IUPAC name is methyl (Z)-4-chloro-3-trimethylsilyloxybut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-chloro-3-trimethylsilyloxybut-2-enoate
PubChem CID86747713
Molecular FormulaC8H15ClO3Si
Molecular Weight222.74 g/mol
Exact Mass222.05
IUPAC Namemethyl (Z)-4-chloro-3-trimethylsilyloxybut-2-enoate
SMILESCOC(=O)/C=C(/CCl)O[Si](C)(C)C
InChIInChI=1S/C8H15ClO3Si/c1-11-8(10)5-7(6-9)12-13(2,3)4/h5H,6H2,1-4H3/b7-5-
InChIKeyQXHFQLCHBUARCF-ALCCZGGFSA-N
XLogP2.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.74
LogP ≤ 52.13
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

4-chloro-3-trimethylsilyloxybut-2-enoic acid
CID 54248464
bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-2-enedioate
CID 6421159
methyl (Z)-4-bromo-3-methoxybut-2-enoate
CID 5374500
(Z)-5-chloro-4-methoxypent-3-en-2-one
CID 55298173
methyl (E)-3-[(2-chloroacetyl)amino]but-2-enoate
CID 19166642
methyl (Z)-3-trimethylsilylbut-2-enoate
CID 175176259
trimethylsilyl 4-bromo-3-methylbut-2-enoate
CID 71409748
trimethylsilyl (E)-3-methylpent-2-enoate
CID 10012676
5-trimethylsilyloxyhept-4-en-3-one
CID 71414557
methyl (Z)-4-[(2S)-1-(1-acetyloxy-2-methoxy-2-oxoethyl)-4-oxoazetidin-2-yl]-3-trimethylsilyloxybut-2-enoate
CID 11014549
dimethyl 3-(2-chloroethylamino)pent-2-enedioate
CID 74015709
methyl (Z)-3-methoxyoct-2-enoate
CID 129407763

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-chloro-3-trimethylsilyloxybut-2-enoate?
The IUPAC name of methyl (Z)-4-chloro-3-trimethylsilyloxybut-2-enoate (CID 86747713) is methyl (Z)-4-chloro-3-trimethylsilyloxybut-2-enoate.
What is the SMILES notation for methyl (Z)-4-chloro-3-trimethylsilyloxybut-2-enoate?
The canonical SMILES for methyl (Z)-4-chloro-3-trimethylsilyloxybut-2-enoate is COC(=O)/C=C(/CCl)O[Si](C)(C)C.
What is the InChIKey of methyl (Z)-4-chloro-3-trimethylsilyloxybut-2-enoate?
The InChIKey is QXHFQLCHBUARCF-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H15ClO3Si/c1-11-8(10)5-7(6-9)12-13(2,3)4/h5H,6H2,1-4H3/b7-5-.
What are the key properties of methyl (Z)-4-chloro-3-trimethylsilyloxybut-2-enoate?
methyl (Z)-4-chloro-3-trimethylsilyloxybut-2-enoate has a molecular weight of 222.74 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-chloro-3-trimethylsilyloxybut-2-enoate is sourced from PubChem (CID 86747713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).