methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehexanoate

C14H28O3Si — CID 19880146

IUPACmethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehexanoate
SMILESC=C(CCCCO[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C14H28O3Si/c1-12(13(15)16-5)10-8-9-11-17-18(6,7)14(2,3)4/h1,8-11H2,2-7H3
InChIKeyYFTYGUSHZZJQTM-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.91
Rot. Bonds7

About methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehexanoate

methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehexanoate (PubChem CID 19880146) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehexanoate.

Molecular Properties

Compound Namemethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehexanoate
PubChem CID19880146
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Namemethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehexanoate
SMILESC=C(CCCCO[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C14H28O3Si/c1-12(13(15)16-5)10-8-9-11-17-18(6,7)14(2,3)4/h1,8-11H2,2-7H3
InChIKeyYFTYGUSHZZJQTM-UHFFFAOYSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
Butyl-Menge Butylacrylat
CID 12684707
Ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate
CID 56926410
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
methyl (2E)-2-(trimethylsilylmethylidene)hexanoate
CID 9990831
butyl (2E)-2-(trimethylsilylmethylidene)hexanoate
CID 10038060
1-O-ethyl 6-O-methyl 2-methylidenehexanedioate
CID 11535761
ethyl (E)-2-methylidene-7-tri(propan-2-yl)silyloxyhept-6-enoate
CID 11724843
ethyl (E)-2-methylidene-7-trimethylsilyloxyhept-6-enoate
CID 11777195
6-O-ethyl 1-O-methyl 2-methylidenehexanedioate
CID 131842712

Frequently Asked Questions

What is the IUPAC name of methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehexanoate?
The IUPAC name of methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehexanoate (CID 19880146) is methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehexanoate.
What is the SMILES notation for methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehexanoate?
The canonical SMILES for methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehexanoate is C=C(CCCCO[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehexanoate?
The InChIKey is YFTYGUSHZZJQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-12(13(15)16-5)10-8-9-11-17-18(6,7)14(2,3)4/h1,8-11H2,2-7H3.
What are the key properties of methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehexanoate?
methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehexanoate has a molecular weight of 272.46 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehexanoate is sourced from PubChem (CID 19880146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).