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

C18H34O7Si — CID 6454289

IUPACbutyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C10H20O5Si.C8H14O2/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/h1,6-8H2,2-5H3;2,4-6H2,1,3H3
InChIKeyKARBZFAQMABQHH-UHFFFAOYSA-N
MW390.55 g/mol
LogP3.28
Rot. Bonds12

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

butyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate (PubChem CID 6454289) has the molecular formula C18H34O7Si and a molecular weight of 390.55 g/mol. Its IUPAC name is butyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebutyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate
PubChem CID6454289
Molecular FormulaC18H34O7Si
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Namebutyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C10H20O5Si.C8H14O2/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/h1,6-8H2,2-5H3;2,4-6H2,1,3H3
InChIKeyKARBZFAQMABQHH-UHFFFAOYSA-N
XLogP3.28
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 butyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The IUPAC name of butyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate (CID 6454289) is butyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for butyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The canonical SMILES for butyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate is 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;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The InChIKey is KARBZFAQMABQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si.C8H14O2/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/h1,6-8H2,2-5H3;2,4-6H2,1,3H3.
What are the key properties of butyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
butyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate has a molecular weight of 390.55 g/mol, XLogP of 3.28, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 6454289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).