silyl 3-methylbut-2-enoate

C5H10O2Si — CID 172808710

IUPACsilyl 3-methylbut-2-enoate
SMILESCC(C)=CC(=O)O[SiH3]
InChIInChI=1S/C5H10O2Si/c1-4(2)3-5(6)7-8/h3H,1-2,8H3
InChIKeyRWFZHMGYOANDEO-UHFFFAOYSA-N
MW130.22 g/mol
LogP-0.22
Rot. Bonds1

About silyl 3-methylbut-2-enoate

silyl 3-methylbut-2-enoate (PubChem CID 172808710) has the molecular formula C5H10O2Si and a molecular weight of 130.22 g/mol. Its IUPAC name is silyl 3-methylbut-2-enoate.

Molecular Properties

Compound Namesilyl 3-methylbut-2-enoate
PubChem CID172808710
Molecular FormulaC5H10O2Si
Molecular Weight130.22 g/mol
Exact Mass130.05
IUPAC Namesilyl 3-methylbut-2-enoate
SMILESCC(C)=CC(=O)O[SiH3]
InChIInChI=1S/C5H10O2Si/c1-4(2)3-5(6)7-8/h3H,1-2,8H3
InChIKeyRWFZHMGYOANDEO-UHFFFAOYSA-N
XLogP-0.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 5-0.22
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

Sodium senecioate
CID 19205585
Potassium 3-methylbut-2-enoate
CID 19205448
Dimethyl siloxane acrylate
CID 140930855
3-Methylbut-2-enoate
CID 5081327
Lithium 3-methylbut-2-enoate
CID 19205721
Chloro 3-methylbut-2-enoate
CID 87097561
Dimethylsilyl 2-methylbut-2-enoate
CID 123251992
Silyl 2-methylbut-2-enoate
CID 123307778
Silyl but-2-enoate
CID 123641326
Silyl 2,3-dimethylbut-2-enoate
CID 123868460
Silyloxysilyl 2-methylbut-2-enoate
CID 123975924
Methoxysilyl but-2-enoate
CID 123996531

Frequently Asked Questions

What is the IUPAC name of silyl 3-methylbut-2-enoate?
The IUPAC name of silyl 3-methylbut-2-enoate (CID 172808710) is silyl 3-methylbut-2-enoate.
What is the SMILES notation for silyl 3-methylbut-2-enoate?
The canonical SMILES for silyl 3-methylbut-2-enoate is CC(C)=CC(=O)O[SiH3].
What is the InChIKey of silyl 3-methylbut-2-enoate?
The InChIKey is RWFZHMGYOANDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2Si/c1-4(2)3-5(6)7-8/h3H,1-2,8H3.
What are the key properties of silyl 3-methylbut-2-enoate?
silyl 3-methylbut-2-enoate has a molecular weight of 130.22 g/mol, XLogP of -0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 3-methylbut-2-enoate is sourced from PubChem (CID 172808710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).