silyl buta-2,3-dienoate

C4H6O2Si — CID 174913933

IUPACsilyl buta-2,3-dienoate
SMILESC=C=CC(=O)O[SiH3]
InChIInChI=1S/C4H6O2Si/c1-2-3-4(5)6-7/h3H,1H2,7H3
InChIKeyMLZYJZNDNGNOPC-UHFFFAOYSA-N
MW114.18 g/mol
LogP-0.85
Rot. Bonds1

About silyl buta-2,3-dienoate

silyl buta-2,3-dienoate (PubChem CID 174913933) has the molecular formula C4H6O2Si and a molecular weight of 114.18 g/mol. Its IUPAC name is silyl buta-2,3-dienoate.

Molecular Properties

Compound Namesilyl buta-2,3-dienoate
PubChem CID174913933
Molecular FormulaC4H6O2Si
Molecular Weight114.18 g/mol
Exact Mass114.01
IUPAC Namesilyl buta-2,3-dienoate
SMILESC=C=CC(=O)O[SiH3]
InChIInChI=1S/C4H6O2Si/c1-2-3-4(5)6-7/h3H,1H2,7H3
InChIKeyMLZYJZNDNGNOPC-UHFFFAOYSA-N
XLogP-0.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.18
LogP ≤ 5-0.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methylsilyl buta-2,3-dienoate
CID 123240831
aziridin-1-yl buta-2,3-dienoate
CID 22966692
2-methylpropyl buta-2,3-dienoate
CID 86045289
1-methoxyethyl buta-2,3-dienoate
CID 21057454
(4-methylphenyl)silyl buta-2,3-dienoate
CID 123785549
potassium;buta-2,3-dienoic acid;hydride
CID 176540162
[ethyl(propan-2-yl)silyl] buta-2,3-dienoate
CID 123649835
silyl 3-methylbut-2-enoate
CID 172808710
buta-2,3-dienoic acid;ethene;prop-2-enoic acid
CID 88755428
1,1,1-trichloropenta-3,4-dien-2-one
CID 10607579
N-methyl-N-phenylbuta-2,3-dienamide
CID 12773177
buta-2,3-dienoyl(carboxy)carbamic acid
CID 176532489

Frequently Asked Questions

What is the IUPAC name of silyl buta-2,3-dienoate?
The IUPAC name of silyl buta-2,3-dienoate (CID 174913933) is silyl buta-2,3-dienoate.
What is the SMILES notation for silyl buta-2,3-dienoate?
The canonical SMILES for silyl buta-2,3-dienoate is C=C=CC(=O)O[SiH3].
What is the InChIKey of silyl buta-2,3-dienoate?
The InChIKey is MLZYJZNDNGNOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2Si/c1-2-3-4(5)6-7/h3H,1H2,7H3.
What are the key properties of silyl buta-2,3-dienoate?
silyl buta-2,3-dienoate has a molecular weight of 114.18 g/mol, XLogP of -0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyl buta-2,3-dienoate is sourced from PubChem (CID 174913933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).