[chloro(diethyl)silyl]methyl 2-methylprop-2-enoate

C9H17ClO2Si — CID 156690529

IUPAC[chloro(diethyl)silyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC[Si](Cl)(CC)CC
InChIInChI=1S/C9H17ClO2Si/c1-5-13(10,6-2)7-12-9(11)8(3)4/h3,5-7H2,1-2,4H3
InChIKeyRHUQLTGJJGVXAZ-UHFFFAOYSA-N
MW220.77 g/mol
LogP2.87
Rot. Bonds5

About [chloro(diethyl)silyl]methyl 2-methylprop-2-enoate

[chloro(diethyl)silyl]methyl 2-methylprop-2-enoate (PubChem CID 156690529) has the molecular formula C9H17ClO2Si and a molecular weight of 220.77 g/mol. Its IUPAC name is [chloro(diethyl)silyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[chloro(diethyl)silyl]methyl 2-methylprop-2-enoate
PubChem CID156690529
Molecular FormulaC9H17ClO2Si
Molecular Weight220.77 g/mol
Exact Mass220.07
IUPAC Name[chloro(diethyl)silyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC[Si](Cl)(CC)CC
InChIInChI=1S/C9H17ClO2Si/c1-5-13(10,6-2)7-12-9(11)8(3)4/h3,5-7H2,1-2,4H3
InChIKeyRHUQLTGJJGVXAZ-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.77
LogP ≤ 52.87
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

trichlorosilylmethyl 2-methylprop-2-enoate
CID 22457275
2-[chloro(diethyl)silyl]ethyl 2-methylprop-2-enoate
CID 156690552
ethyl 2-methylprop-2-enoate
CID 130475774
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;methane
CID 159235789
sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862
[dicarboxy(2-methylprop-2-enoyloxymethyl)silyl]formic acid
CID 163406071
tripropoxysilylmethyl 2-methylprop-2-enoate
CID 22266632
ethenol;ethyl 2-methylprop-2-enoate
CID 174606807
tris(tripropylsilyloxy)silylmethyl 2-methylprop-2-enoate
CID 171058420

Frequently Asked Questions

What is the IUPAC name of [chloro(diethyl)silyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [chloro(diethyl)silyl]methyl 2-methylprop-2-enoate (CID 156690529) is [chloro(diethyl)silyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [chloro(diethyl)silyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [chloro(diethyl)silyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC[Si](Cl)(CC)CC.
What is the InChIKey of [chloro(diethyl)silyl]methyl 2-methylprop-2-enoate?
The InChIKey is RHUQLTGJJGVXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO2Si/c1-5-13(10,6-2)7-12-9(11)8(3)4/h3,5-7H2,1-2,4H3.
What are the key properties of [chloro(diethyl)silyl]methyl 2-methylprop-2-enoate?
[chloro(diethyl)silyl]methyl 2-methylprop-2-enoate has a molecular weight of 220.77 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(diethyl)silyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 156690529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).