propan-2-yl 2-silylprop-2-enoate

C6H12O2Si — CID 173200883

IUPACpropan-2-yl 2-silylprop-2-enoate
SMILESC=C([SiH3])C(=O)OC(C)C
InChIInChI=1S/C6H12O2Si/c1-4(2)8-6(7)5(3)9/h4H,3H2,1-2,9H3
InChIKeyQZYGQGLMCGVTKN-UHFFFAOYSA-N
MW144.25 g/mol
LogP-0.18
Rot. Bonds2

About propan-2-yl 2-silylprop-2-enoate

propan-2-yl 2-silylprop-2-enoate (PubChem CID 173200883) has the molecular formula C6H12O2Si and a molecular weight of 144.25 g/mol. Its IUPAC name is propan-2-yl 2-silylprop-2-enoate.

Molecular Properties

Compound Namepropan-2-yl 2-silylprop-2-enoate
PubChem CID173200883
Molecular FormulaC6H12O2Si
Molecular Weight144.25 g/mol
Exact Mass144.06
IUPAC Namepropan-2-yl 2-silylprop-2-enoate
SMILESC=C([SiH3])C(=O)OC(C)C
InChIInChI=1S/C6H12O2Si/c1-4(2)8-6(7)5(3)9/h4H,3H2,1-2,9H3
InChIKeyQZYGQGLMCGVTKN-UHFFFAOYSA-N
XLogP-0.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.25
LogP ≤ 5-0.18
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

propan-2-yl 2-methylprop-2-enoate
CID 146421311
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
carbonic acid;ethene;propan-2-yl hydrogen carbonate
CID 175300658
1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2-O-propan-2-yl oxalate
CID 166723292
2-cyanoprop-2-enoic acid;propan-2-yl 2-cyanoprop-2-enoate
CID 139581489
methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 174883570
2-propan-2-yloxyprop-2-enal
CID 143387365
propan-2-yl 2,3,3-trifluoroprop-2-enoate
CID 13033423
diazanium;ethene;bis(propan-2-yl carbonate)
CID 158304225
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
propan-2-yl acetate;hydrochloride
CID 87336432
propan-2-yl carbonobromidate
CID 54038908

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-silylprop-2-enoate?
The IUPAC name of propan-2-yl 2-silylprop-2-enoate (CID 173200883) is propan-2-yl 2-silylprop-2-enoate.
What is the SMILES notation for propan-2-yl 2-silylprop-2-enoate?
The canonical SMILES for propan-2-yl 2-silylprop-2-enoate is C=C([SiH3])C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-silylprop-2-enoate?
The InChIKey is QZYGQGLMCGVTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2Si/c1-4(2)8-6(7)5(3)9/h4H,3H2,1-2,9H3.
What are the key properties of propan-2-yl 2-silylprop-2-enoate?
propan-2-yl 2-silylprop-2-enoate has a molecular weight of 144.25 g/mol, XLogP of -0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-silylprop-2-enoate is sourced from PubChem (CID 173200883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).