methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate

C11H22O3Si — CID 23252672

IUPACmethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate
SMILESC=C(CO[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C11H22O3Si/c1-9(10(12)13-5)8-14-15(6,7)11(2,3)4/h1,8H2,2-7H3
InChIKeyNWHCTIMQJKTEHN-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.74
Rot. Bonds4

About methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate

methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate (PubChem CID 23252672) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate
PubChem CID23252672
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Namemethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate
SMILESC=C(CO[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C11H22O3Si/c1-9(10(12)13-5)8-14-15(6,7)11(2,3)4/h1,8H2,2-7H3
InChIKeyNWHCTIMQJKTEHN-UHFFFAOYSA-N
XLogP2.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate?
The IUPAC name of methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate (CID 23252672) is methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate?
The canonical SMILES for methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate is C=C(CO[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate?
The InChIKey is NWHCTIMQJKTEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-9(10(12)13-5)8-14-15(6,7)11(2,3)4/h1,8H2,2-7H3.
What are the key properties of methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate?
methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate has a molecular weight of 230.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate is sourced from PubChem (CID 23252672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).