3-(2-silylethenoxycarbonyl)but-3-enoic acid

C7H10O4Si — CID 173198372

IUPAC3-(2-silylethenoxycarbonyl)but-3-enoic acid
SMILESC=C(CC(=O)O)C(=O)OC=C[SiH3]
InChIInChI=1S/C7H10O4Si/c1-5(4-6(8)9)7(10)11-2-3-12/h2-3H,1,4H2,12H3,(H,8,9)
InChIKeyRKGCNLZIGOPSNH-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.60
Rot. Bonds4

About 3-(2-silylethenoxycarbonyl)but-3-enoic acid

3-(2-silylethenoxycarbonyl)but-3-enoic acid (PubChem CID 173198372) has the molecular formula C7H10O4Si and a molecular weight of 186.24 g/mol. Its IUPAC name is 3-(2-silylethenoxycarbonyl)but-3-enoic acid.

Molecular Properties

Compound Name3-(2-silylethenoxycarbonyl)but-3-enoic acid
PubChem CID173198372
Molecular FormulaC7H10O4Si
Molecular Weight186.24 g/mol
Exact Mass186.03
IUPAC Name3-(2-silylethenoxycarbonyl)but-3-enoic acid
SMILESC=C(CC(=O)O)C(=O)OC=C[SiH3]
InChIInChI=1S/C7H10O4Si/c1-5(4-6(8)9)7(10)11-2-3-12/h2-3H,1,4H2,12H3,(H,8,9)
InChIKeyRKGCNLZIGOPSNH-UHFFFAOYSA-N
XLogP-0.60
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-hexa-1,5-dienoxycarbonylbut-3-enoic acid
CID 156869817
3-methoxycarbonylbut-3-enoic acid
CID 4613903
3-methylidene-5-silylpent-4-enoic acid
CID 175145880
3-[2-[2-(carboxymethyl)prop-2-enoyloxy]ethoxycarbonyl]but-3-enoic acid
CID 54264281
4-hydroxy-3-methylidenepent-4-enoic acid
CID 89312002
3-(2,2-dihydroxyethoxycarbonyl)but-3-enoic acid
CID 22167122
barium(2+);3-ethoxycarbonylbut-3-enoic acid;hydride
CID 173454409
3-[2-(carboxymethyl)prop-2-enoyloxycarbonyl]but-3-enoic acid;(Z)-4-[(Z)-3-carboxy-2-methylprop-2-enoyl]oxy-3-methyl-4-oxobut-2-enoic acid
CID 118513956
3-(1,2,2-trifluoroethoxycarbonyl)but-3-enoic acid
CID 18966781
2-methylidenebutanedioic acid;zirconium
CID 158245785
methane;2-methylidenebutanedioic acid
CID 158038738
ethenoxyethene;2-methylidenebutanedioic acid
CID 159680731

Frequently Asked Questions

What is the IUPAC name of 3-(2-silylethenoxycarbonyl)but-3-enoic acid?
The IUPAC name of 3-(2-silylethenoxycarbonyl)but-3-enoic acid (CID 173198372) is 3-(2-silylethenoxycarbonyl)but-3-enoic acid.
What is the SMILES notation for 3-(2-silylethenoxycarbonyl)but-3-enoic acid?
The canonical SMILES for 3-(2-silylethenoxycarbonyl)but-3-enoic acid is C=C(CC(=O)O)C(=O)OC=C[SiH3].
What is the InChIKey of 3-(2-silylethenoxycarbonyl)but-3-enoic acid?
The InChIKey is RKGCNLZIGOPSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4Si/c1-5(4-6(8)9)7(10)11-2-3-12/h2-3H,1,4H2,12H3,(H,8,9).
What are the key properties of 3-(2-silylethenoxycarbonyl)but-3-enoic acid?
3-(2-silylethenoxycarbonyl)but-3-enoic acid has a molecular weight of 186.24 g/mol, XLogP of -0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-silylethenoxycarbonyl)but-3-enoic acid is sourced from PubChem (CID 173198372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).