methyl 2-[dimethyl(phenyl)silyl]but-3-enoate

C13H18O2Si — CID 12798756

IUPACmethyl 2-[dimethyl(phenyl)silyl]but-3-enoate
SMILESC=CC(C(=O)OC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C13H18O2Si/c1-5-12(13(14)15-2)16(3,4)11-9-7-6-8-10-11/h5-10,12H,1H2,2-4H3
InChIKeyMBAHQZSGXZJGHL-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.33
Rot. Bonds4

About methyl 2-[dimethyl(phenyl)silyl]but-3-enoate

methyl 2-[dimethyl(phenyl)silyl]but-3-enoate (PubChem CID 12798756) has the molecular formula C13H18O2Si and a molecular weight of 234.37 g/mol. Its IUPAC name is methyl 2-[dimethyl(phenyl)silyl]but-3-enoate.

Molecular Properties

Compound Namemethyl 2-[dimethyl(phenyl)silyl]but-3-enoate
PubChem CID12798756
Molecular FormulaC13H18O2Si
Molecular Weight234.37 g/mol
Exact Mass234.11
IUPAC Namemethyl 2-[dimethyl(phenyl)silyl]but-3-enoate
SMILESC=CC(C(=O)OC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C13H18O2Si/c1-5-12(13(14)15-2)16(3,4)11-9-7-6-8-10-11/h5-10,12H,1H2,2-4H3
InChIKeyMBAHQZSGXZJGHL-UHFFFAOYSA-N
XLogP2.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[dimethyl(phenyl)silyl]but-3-enoate?
The IUPAC name of methyl 2-[dimethyl(phenyl)silyl]but-3-enoate (CID 12798756) is methyl 2-[dimethyl(phenyl)silyl]but-3-enoate.
What is the SMILES notation for methyl 2-[dimethyl(phenyl)silyl]but-3-enoate?
The canonical SMILES for methyl 2-[dimethyl(phenyl)silyl]but-3-enoate is C=CC(C(=O)OC)[Si](C)(C)c1ccccc1.
What is the InChIKey of methyl 2-[dimethyl(phenyl)silyl]but-3-enoate?
The InChIKey is MBAHQZSGXZJGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2Si/c1-5-12(13(14)15-2)16(3,4)11-9-7-6-8-10-11/h5-10,12H,1H2,2-4H3.
What are the key properties of methyl 2-[dimethyl(phenyl)silyl]but-3-enoate?
methyl 2-[dimethyl(phenyl)silyl]but-3-enoate has a molecular weight of 234.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[dimethyl(phenyl)silyl]but-3-enoate is sourced from PubChem (CID 12798756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).