butyl (E)-2-methyl-3-trimethylsilylprop-2-enoate

C11H22O2Si — CID 142685966

IUPACbutyl (E)-2-methyl-3-trimethylsilylprop-2-enoate
SMILESCCCCOC(=O)/C(C)=C/[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-6-7-8-13-11(12)10(2)9-14(3,4)5/h9H,6-8H2,1-5H3/b10-9+
InChIKeyARBGRRXFVJPWJD-MDZDMXLPSA-N
MW214.38 g/mol
LogP3.15
Rot. Bonds5

About butyl (E)-2-methyl-3-trimethylsilylprop-2-enoate

butyl (E)-2-methyl-3-trimethylsilylprop-2-enoate (PubChem CID 142685966) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is butyl (E)-2-methyl-3-trimethylsilylprop-2-enoate.

Molecular Properties

Compound Namebutyl (E)-2-methyl-3-trimethylsilylprop-2-enoate
PubChem CID142685966
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Namebutyl (E)-2-methyl-3-trimethylsilylprop-2-enoate
SMILESCCCCOC(=O)/C(C)=C/[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-6-7-8-13-11(12)10(2)9-14(3,4)5/h9H,6-8H2,1-5H3/b10-9+
InChIKeyARBGRRXFVJPWJD-MDZDMXLPSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

butyl 3-hydroxy-2-methylprop-2-enoate
CID 141127491
acetic acid;dibutyl oxalate
CID 175057200
dibutyl (Z)-2,3-dimethylbut-2-enedioate
CID 87788407
undecyl (E)-2-methylbut-2-enoate
CID 91701896
(E)-3-methyl-4-oxo-4-pentoxybut-2-enoic acid
CID 21411329
5-butoxy-4-methyl-2-methylidene-5-oxopent-3-enoic acid
CID 54059512
butyl (E)-5-hydroxy-2-methyl-4-oxohex-2-enoate
CID 140545371
dibutyl 2,3-di(ethylidene)butanedioate
CID 89106710
2-(3-butoxy-2-methyl-3-oxoprop-1-enoxy)ethyl-trimethylazanium
CID 175345950
dodecyl 2-methylhenicos-2-enoate
CID 57172953
octyl (Z)-3-ethoxy-2-methylprop-2-enoate
CID 59895705
4-icosoxy-3-methyl-4-oxobut-2-enoic acid
CID 54033300

Frequently Asked Questions

What is the IUPAC name of butyl (E)-2-methyl-3-trimethylsilylprop-2-enoate?
The IUPAC name of butyl (E)-2-methyl-3-trimethylsilylprop-2-enoate (CID 142685966) is butyl (E)-2-methyl-3-trimethylsilylprop-2-enoate.
What is the SMILES notation for butyl (E)-2-methyl-3-trimethylsilylprop-2-enoate?
The canonical SMILES for butyl (E)-2-methyl-3-trimethylsilylprop-2-enoate is CCCCOC(=O)/C(C)=C/[Si](C)(C)C.
What is the InChIKey of butyl (E)-2-methyl-3-trimethylsilylprop-2-enoate?
The InChIKey is ARBGRRXFVJPWJD-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-6-7-8-13-11(12)10(2)9-14(3,4)5/h9H,6-8H2,1-5H3/b10-9+.
What are the key properties of butyl (E)-2-methyl-3-trimethylsilylprop-2-enoate?
butyl (E)-2-methyl-3-trimethylsilylprop-2-enoate has a molecular weight of 214.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (E)-2-methyl-3-trimethylsilylprop-2-enoate is sourced from PubChem (CID 142685966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).