(4-hydroxy-4-triethoxysilylbutyl) 2-methylprop-2-enoate

C14H28O6Si — CID 175600409

IUPAC(4-hydroxy-4-triethoxysilylbutyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC(O)[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H28O6Si/c1-6-18-21(19-7-2,20-8-3)13(15)10-9-11-17-14(16)12(4)5/h13,15H,4,6-11H2,1-3,5H3
InChIKeyLUBHBRQBNBJHRC-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.83
Rot. Bonds12

About (4-hydroxy-4-triethoxysilylbutyl) 2-methylprop-2-enoate

(4-hydroxy-4-triethoxysilylbutyl) 2-methylprop-2-enoate (PubChem CID 175600409) has the molecular formula C14H28O6Si and a molecular weight of 320.46 g/mol. Its IUPAC name is (4-hydroxy-4-triethoxysilylbutyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-hydroxy-4-triethoxysilylbutyl) 2-methylprop-2-enoate
PubChem CID175600409
Molecular FormulaC14H28O6Si
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name(4-hydroxy-4-triethoxysilylbutyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC(O)[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H28O6Si/c1-6-18-21(19-7-2,20-8-3)13(15)10-9-11-17-14(16)12(4)5/h13,15H,4,6-11H2,1-3,5H3
InChIKeyLUBHBRQBNBJHRC-UHFFFAOYSA-N
XLogP1.83
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

4-triethoxysilylpentyl 2-methylprop-2-enoate
CID 87402271
(5-hydroxy-4-methylhexyl) 2-methylprop-2-enoate
CID 173435405
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
5,5-diethoxypentyl 2-methylprop-2-enoate
CID 123206494
[7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate
CID 155725182
2-ethyl-5-(2-methylprop-2-enoyloxy)pentanoic acid
CID 140531470
(6-hydroxy-4-methylheptyl) 2-methylprop-2-enoate
CID 175163643
4-ethyloctyl 2-methylprop-2-enoate
CID 57022473
5-[diethoxy(ethyl)silyl]pentyl 2-methylprop-2-enoate
CID 139712375
[4-[3-(2-methylprop-2-enoyloxy)propyl]-5-silyloxyoctyl] 2-methylprop-2-enoate
CID 173329049
3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;tetraethyl silicate
CID 87080022
3-[diethoxy(pentan-2-yloxy)silyl]propyl 2-methylprop-2-enoate
CID 141157653

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-triethoxysilylbutyl) 2-methylprop-2-enoate?
The IUPAC name of (4-hydroxy-4-triethoxysilylbutyl) 2-methylprop-2-enoate (CID 175600409) is (4-hydroxy-4-triethoxysilylbutyl) 2-methylprop-2-enoate.
What is the SMILES notation for (4-hydroxy-4-triethoxysilylbutyl) 2-methylprop-2-enoate?
The canonical SMILES for (4-hydroxy-4-triethoxysilylbutyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC(O)[Si](OCC)(OCC)OCC.
What is the InChIKey of (4-hydroxy-4-triethoxysilylbutyl) 2-methylprop-2-enoate?
The InChIKey is LUBHBRQBNBJHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O6Si/c1-6-18-21(19-7-2,20-8-3)13(15)10-9-11-17-14(16)12(4)5/h13,15H,4,6-11H2,1-3,5H3.
What are the key properties of (4-hydroxy-4-triethoxysilylbutyl) 2-methylprop-2-enoate?
(4-hydroxy-4-triethoxysilylbutyl) 2-methylprop-2-enoate has a molecular weight of 320.46 g/mol, XLogP of 1.83, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-triethoxysilylbutyl) 2-methylprop-2-enoate is sourced from PubChem (CID 175600409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).