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

C30H54O11Si — CID 170852381

IUPACbutyl 2-methylprop-2-enoate;butyl prop-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.C=CC(=O)OCCCC
InChIInChI=1S/C10H20O5Si.C8H14O2.C7H12O2.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;1-3-5-6-9-7(8)4-2;1-4(2)5(6)7-3/h1,6-8H2,2-5H3;2,4-6H2,1,3H3;4H,2-3,5-6H2,1H3;1H2,2-3H3
InChIKeyYOMZQDVGAHKORN-UHFFFAOYSA-N
MW618.84 g/mol
LogP5.53
Rot. Bonds17

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

butyl 2-methylprop-2-enoate;butyl prop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate (PubChem CID 170852381) has the molecular formula C30H54O11Si and a molecular weight of 618.84 g/mol. Its IUPAC name is butyl 2-methylprop-2-enoate;butyl prop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebutyl 2-methylprop-2-enoate;butyl prop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate
PubChem CID170852381
Molecular FormulaC30H54O11Si
Molecular Weight618.84 g/mol
Exact Mass618.34
IUPAC Namebutyl 2-methylprop-2-enoate;butyl prop-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.C=CC(=O)OCCCC
InChIInChI=1S/C10H20O5Si.C8H14O2.C7H12O2.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;1-3-5-6-9-7(8)4-2;1-4(2)5(6)7-3/h1,6-8H2,2-5H3;2,4-6H2,1,3H3;4H,2-3,5-6H2,1H3;1H2,2-3H3
InChIKeyYOMZQDVGAHKORN-UHFFFAOYSA-N
XLogP5.53
TPSA132.89 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500618.84
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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;butyl prop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The IUPAC name of butyl 2-methylprop-2-enoate;butyl prop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate (CID 170852381) is butyl 2-methylprop-2-enoate;butyl prop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for butyl 2-methylprop-2-enoate;butyl prop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The canonical SMILES for butyl 2-methylprop-2-enoate;butyl prop-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.C=CC(=O)OCCCC.
What is the InChIKey of butyl 2-methylprop-2-enoate;butyl prop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The InChIKey is YOMZQDVGAHKORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si.C8H14O2.C7H12O2.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;1-3-5-6-9-7(8)4-2;1-4(2)5(6)7-3/h1,6-8H2,2-5H3;2,4-6H2,1,3H3;4H,2-3,5-6H2,1H3;1H2,2-3H3.
What are the key properties of butyl 2-methylprop-2-enoate;butyl prop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate has a molecular weight of 618.84 g/mol, XLogP of 5.53, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methylprop-2-enoate;butyl prop-2-enoate;methyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 170852381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).