methylsilyl buta-2,3-dienoate

C5H8O2Si — CID 123240831

IUPACmethylsilyl buta-2,3-dienoate
SMILESC=C=CC(=O)O[SiH2]C
InChIInChI=1S/C5H8O2Si/c1-3-4-5(6)7-8-2/h4H,1,8H2,2H3
InChIKeyKIBCVUOJFOZTFY-UHFFFAOYSA-N
MW128.20 g/mol
LogP0.00
Rot. Bonds2

About methylsilyl buta-2,3-dienoate

methylsilyl buta-2,3-dienoate (PubChem CID 123240831) has the molecular formula C5H8O2Si and a molecular weight of 128.20 g/mol. Its IUPAC name is methylsilyl buta-2,3-dienoate.

Molecular Properties

Compound Namemethylsilyl buta-2,3-dienoate
PubChem CID123240831
Molecular FormulaC5H8O2Si
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Namemethylsilyl buta-2,3-dienoate
SMILESC=C=CC(=O)O[SiH2]C
InChIInChI=1S/C5H8O2Si/c1-3-4-5(6)7-8-2/h4H,1,8H2,2H3
InChIKeyKIBCVUOJFOZTFY-UHFFFAOYSA-N
XLogP0.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 50.00
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

(4-methylphenyl)silyl buta-2,3-dienoate
CID 123785549
silyl buta-2,3-dienoate
CID 174913933
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
[ethyl(propan-2-yl)silyl] buta-2,3-dienoate
CID 123649835
buta-2,3-dienoyl(carboxy)carbamic acid
CID 176532489
potassium;buta-2,3-dienoic acid;hydride
CID 176540162
1-(2-methylhexoxy)ethyl buta-2,3-dienoate
CID 91107431
dicalcium;hydride;methylsilyl hydrogen carbonate;hydrate
CID 174280311
N-methylsulfanylbuta-2,3-dienamide
CID 176523508
2-prop-1-en-2-yloxyhexa-4,5-dien-3-one
CID 90694750

Frequently Asked Questions

What is the IUPAC name of methylsilyl buta-2,3-dienoate?
The IUPAC name of methylsilyl buta-2,3-dienoate (CID 123240831) is methylsilyl buta-2,3-dienoate.
What is the SMILES notation for methylsilyl buta-2,3-dienoate?
The canonical SMILES for methylsilyl buta-2,3-dienoate is C=C=CC(=O)O[SiH2]C.
What is the InChIKey of methylsilyl buta-2,3-dienoate?
The InChIKey is KIBCVUOJFOZTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2Si/c1-3-4-5(6)7-8-2/h4H,1,8H2,2H3.
What are the key properties of methylsilyl buta-2,3-dienoate?
methylsilyl buta-2,3-dienoate has a molecular weight of 128.20 g/mol, XLogP of 0.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylsilyl buta-2,3-dienoate is sourced from PubChem (CID 123240831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).