butyl (2E)-2-(trimethylsilylmethylidene)hexanoate

C14H28O2Si — CID 10038060

IUPACbutyl (2E)-2-(trimethylsilylmethylidene)hexanoate
SMILESCCCCOC(=O)/C(=C/[Si](C)(C)C)CCCC
InChIInChI=1S/C14H28O2Si/c1-6-8-10-13(12-17(3,4)5)14(15)16-11-9-7-2/h12H,6-11H2,1-5H3/b13-12+
InChIKeyJNAXPTXTABMGSR-OUKQBFOZSA-N
MW256.46 g/mol
LogP4.32
Rot. Bonds8

About butyl (2E)-2-(trimethylsilylmethylidene)hexanoate

butyl (2E)-2-(trimethylsilylmethylidene)hexanoate (PubChem CID 10038060) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is butyl (2E)-2-(trimethylsilylmethylidene)hexanoate.

Molecular Properties

Compound Namebutyl (2E)-2-(trimethylsilylmethylidene)hexanoate
PubChem CID10038060
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Namebutyl (2E)-2-(trimethylsilylmethylidene)hexanoate
SMILESCCCCOC(=O)/C(=C/[Si](C)(C)C)CCCC
InChIInChI=1S/C14H28O2Si/c1-6-8-10-13(12-17(3,4)5)14(15)16-11-9-7-2/h12H,6-11H2,1-5H3/b13-12+
InChIKeyJNAXPTXTABMGSR-OUKQBFOZSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.32
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

Hexanoic acid, 2-methylene-, ethyl ester
CID 3014221
Heptanoic acid, 2-methylene-, ethyl ester
CID 12456489
Butyl-Menge Butylacrylat
CID 12684707
Ethyl 3-fluoro-2-methylidenehexanoate
CID 139772549
6-[Fluoro(dimethyl)silyl]hexyl 2-methylprop-2-enoate
CID 156681330
3-Fluoropropyl 2-methylidenehexanoate
CID 175124552
Ethyl 6-diethylboranyl-2-methylidenehexanoate
CID 11009590
Ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate
CID 56926410
ZINC bis(ethyl 2-methylidenehexanoate)
CID 86231831
ethyl (2Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethylidene)hexanoate
CID 134922681
Ethyl 5-methyl-2-methylidene-6-tri(propan-2-yl)silyloxyhexanoate
CID 134945987
Ethyl 2-(2-trimethylsilylethenylidene)pentanoate
CID 134988506

Frequently Asked Questions

What is the IUPAC name of butyl (2E)-2-(trimethylsilylmethylidene)hexanoate?
The IUPAC name of butyl (2E)-2-(trimethylsilylmethylidene)hexanoate (CID 10038060) is butyl (2E)-2-(trimethylsilylmethylidene)hexanoate.
What is the SMILES notation for butyl (2E)-2-(trimethylsilylmethylidene)hexanoate?
The canonical SMILES for butyl (2E)-2-(trimethylsilylmethylidene)hexanoate is CCCCOC(=O)/C(=C/[Si](C)(C)C)CCCC.
What is the InChIKey of butyl (2E)-2-(trimethylsilylmethylidene)hexanoate?
The InChIKey is JNAXPTXTABMGSR-OUKQBFOZSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-6-8-10-13(12-17(3,4)5)14(15)16-11-9-7-2/h12H,6-11H2,1-5H3/b13-12+.
What are the key properties of butyl (2E)-2-(trimethylsilylmethylidene)hexanoate?
butyl (2E)-2-(trimethylsilylmethylidene)hexanoate has a molecular weight of 256.46 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (2E)-2-(trimethylsilylmethylidene)hexanoate is sourced from PubChem (CID 10038060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).