butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate

C23H42O9Si — CID 170851905

IUPACbutyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C10H20O5Si.C8H14O2.C5H8O2/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5;1-4-5-6-10-8(9)7(2)3;1-4(2)5(6)7-3/h1,6-8H2,2-5H3;2,4-6H2,1,3H3;1H2,2-3H3
InChIKeyXSBOQTMSJGLCJO-UHFFFAOYSA-N
MW490.67 g/mol
LogP4.02
Rot. Bonds13

About butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate

butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate (PubChem CID 170851905) has the molecular formula C23H42O9Si and a molecular weight of 490.67 g/mol. Its IUPAC name is butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebutyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate
PubChem CID170851905
Molecular FormulaC23H42O9Si
Molecular Weight490.67 g/mol
Exact Mass490.26
IUPAC Namebutyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C10H20O5Si.C8H14O2.C5H8O2/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5;1-4-5-6-10-8(9)7(2)3;1-4(2)5(6)7-3/h1,6-8H2,2-5H3;2,4-6H2,1,3H3;1H2,2-3H3
InChIKeyXSBOQTMSJGLCJO-UHFFFAOYSA-N
XLogP4.02
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.67
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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 butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The IUPAC name of butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate (CID 170851905) is butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The canonical SMILES for butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCC[Si](OC)(OC)OC.
What is the InChIKey of butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The InChIKey is XSBOQTMSJGLCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si.C8H14O2.C5H8O2/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5;1-4-5-6-10-8(9)7(2)3;1-4(2)5(6)7-3/h1,6-8H2,2-5H3;2,4-6H2,1,3H3;1H2,2-3H3.
What are the key properties of butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate has a molecular weight of 490.67 g/mol, XLogP of 4.02, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 170851905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).