[dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate

C14H28O4Si — CID 54498038

IUPAC[dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC[Si](C)(OCCCC)OCCCC
InChIInChI=1S/C14H28O4Si/c1-6-8-10-17-19(5,18-11-9-7-2)12-16-14(15)13(3)4/h3,6-12H2,1-2,4-5H3
InChIKeyYAMRMMIIEMIUAG-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.35
Rot. Bonds11

About [dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate

[dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate (PubChem CID 54498038) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is [dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate
PubChem CID54498038
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name[dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC[Si](C)(OCCCC)OCCCC
InChIInChI=1S/C14H28O4Si/c1-6-8-10-17-19(5,18-11-9-7-2)12-16-14(15)13(3)4/h3,6-12H2,1-2,4-5H3
InChIKeyYAMRMMIIEMIUAG-UHFFFAOYSA-N
XLogP3.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate (CID 54498038) is [dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC[Si](C)(OCCCC)OCCCC.
What is the InChIKey of [dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate?
The InChIKey is YAMRMMIIEMIUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-6-8-10-17-19(5,18-11-9-7-2)12-16-14(15)13(3)4/h3,6-12H2,1-2,4-5H3.
What are the key properties of [dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate?
[dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate has a molecular weight of 288.46 g/mol, XLogP of 3.35, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 54498038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).