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

C17H32O7Si — CID 87920315

IUPACbutyl prop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OC)(OC)OC.C=CC(=O)OCCCC
InChIInChI=1S/C10H20O5Si.C7H12O2/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5;1-3-5-6-9-7(8)4-2/h1,6-8H2,2-5H3;4H,2-3,5-6H2,1H3
InChIKeyKURZWUJNRGBOBU-UHFFFAOYSA-N
MW376.52 g/mol
LogP2.89
Rot. Bonds12

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

butyl prop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate (PubChem CID 87920315) has the molecular formula C17H32O7Si and a molecular weight of 376.52 g/mol. Its IUPAC name is butyl prop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebutyl prop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate
PubChem CID87920315
Molecular FormulaC17H32O7Si
Molecular Weight376.52 g/mol
Exact Mass376.19
IUPAC Namebutyl prop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OC)(OC)OC.C=CC(=O)OCCCC
InChIInChI=1S/C10H20O5Si.C7H12O2/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5;1-3-5-6-9-7(8)4-2/h1,6-8H2,2-5H3;4H,2-3,5-6H2,1H3
InChIKeyKURZWUJNRGBOBU-UHFFFAOYSA-N
XLogP2.89
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 52.89
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 prop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The IUPAC name of butyl prop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate (CID 87920315) is butyl prop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for butyl prop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The canonical SMILES for butyl prop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](OC)(OC)OC.C=CC(=O)OCCCC.
What is the InChIKey of butyl prop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The InChIKey is KURZWUJNRGBOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si.C7H12O2/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5;1-3-5-6-9-7(8)4-2/h1,6-8H2,2-5H3;4H,2-3,5-6H2,1H3.
What are the key properties of butyl prop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
butyl prop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate has a molecular weight of 376.52 g/mol, XLogP of 2.89, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butyl prop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 87920315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).