methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-enoate

C17H34O3Si — CID 134846818

IUPACmethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-enoate
SMILESCCCCCC(O[Si](C)(C)C(C)(C)C)/C(C)=C\C(=O)OC
InChIInChI=1S/C17H34O3Si/c1-9-10-11-12-15(14(2)13-16(18)19-6)20-21(7,8)17(3,4)5/h13,15H,9-12H2,1-8H3/b14-13-
InChIKeyOHWCWSQJBYPNFX-YPKPFQOOSA-N
MW314.54 g/mol
LogP5.08
Rot. Bonds8

About methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-enoate

methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-enoate (PubChem CID 134846818) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-enoate
PubChem CID134846818
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Namemethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-enoate
SMILESCCCCCC(O[Si](C)(C)C(C)(C)C)/C(C)=C\C(=O)OC
InChIInChI=1S/C17H34O3Si/c1-9-10-11-12-15(14(2)13-16(18)19-6)20-21(7,8)17(3,4)5/h13,15H,9-12H2,1-8H3/b14-13-
InChIKeyOHWCWSQJBYPNFX-YPKPFQOOSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.08
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

methyl (E)-2-(2-methyl-1-triethylsilyloxyprop-2-enyl)hexadec-2-enoate
CID 23729629
octyl (E)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylideneoxan-2-yl]-3-methylbut-2-enoate
CID 101185873
(E)-tert-Butyl 11-(tert-butyldimethylsilyloxy)-2-undecenoate
CID 24859311
4-dodecyl-5-ethyl-2(5H)-furanone
CID 3844766
methyl (Z)-2-(trimethylsilylmethyl)undec-2-enoate
CID 11323594
methyl (E)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate
CID 11772258
methyl (E)-6-(2-trimethylsilyloxycyclohexen-1-yl)hex-2-enoate
CID 12149871
methyl (E)-3-[(6S,7R)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohepten-1-yl]prop-2-enoate
CID 12162139
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 23642892
2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-methyl-3-prop-2-enyl-2H-furan-5-one
CID 44817643
methyl (2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienoate
CID 57327615
methyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate
CID 71486540

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-enoate?
The IUPAC name of methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-enoate (CID 134846818) is methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-enoate.
What is the SMILES notation for methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-enoate?
The canonical SMILES for methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-enoate is CCCCCC(O[Si](C)(C)C(C)(C)C)/C(C)=C\C(=O)OC.
What is the InChIKey of methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-enoate?
The InChIKey is OHWCWSQJBYPNFX-YPKPFQOOSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-9-10-11-12-15(14(2)13-16(18)19-6)20-21(7,8)17(3,4)5/h13,15H,9-12H2,1-8H3/b14-13-.
What are the key properties of methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-enoate?
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-enoate has a molecular weight of 314.54 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-enoate is sourced from PubChem (CID 134846818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).