methyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate

C20H40O3Si — CID 71486540

IUPACmethyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate
SMILESCCCCCCC(O[Si](CC)(CC)CC)/C(=C/C(=O)OC)CCC
InChIInChI=1S/C20H40O3Si/c1-7-12-13-14-16-19(23-24(9-3,10-4)11-5)18(15-8-2)17-20(21)22-6/h17,19H,7-16H2,1-6H3/b18-17+
InChIKeyKMYCEGGIQWWWHT-ISLYRVAYSA-N
MW356.62 g/mol
LogP6.25
Rot. Bonds14

About methyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate

methyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate (PubChem CID 71486540) has the molecular formula C20H40O3Si and a molecular weight of 356.62 g/mol. Its IUPAC name is methyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate
PubChem CID71486540
Molecular FormulaC20H40O3Si
Molecular Weight356.62 g/mol
Exact Mass356.27
IUPAC Namemethyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate
SMILESCCCCCCC(O[Si](CC)(CC)CC)/C(=C/C(=O)OC)CCC
InChIInChI=1S/C20H40O3Si/c1-7-12-13-14-16-19(23-24(9-3,10-4)11-5)18(15-8-2)17-20(21)22-6/h17,19H,7-16H2,1-6H3/b18-17+
InChIKeyKMYCEGGIQWWWHT-ISLYRVAYSA-N
XLogP6.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.62
LogP ≤ 56.25
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 (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
methyl (E,7R)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynon-2-enoate
CID 24949356
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 (2E)-2-[7-[tert-butyl(dimethyl)silyl]oxy-7-methyl-3-(4-methylpent-3-enyl)cyclohept-3-en-1-ylidene]acetate
CID 100991017
ethyl (2Z)-2-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-1-en-2-ylcyclopentylidene]acetate
CID 101012135

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate?
The IUPAC name of methyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate (CID 71486540) is methyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate.
What is the SMILES notation for methyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate?
The canonical SMILES for methyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate is CCCCCCC(O[Si](CC)(CC)CC)/C(=C/C(=O)OC)CCC.
What is the InChIKey of methyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate?
The InChIKey is KMYCEGGIQWWWHT-ISLYRVAYSA-N. The full InChI is InChI=1S/C20H40O3Si/c1-7-12-13-14-16-19(23-24(9-3,10-4)11-5)18(15-8-2)17-20(21)22-6/h17,19H,7-16H2,1-6H3/b18-17+.
What are the key properties of methyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate?
methyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate has a molecular weight of 356.62 g/mol, XLogP of 6.25, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate is sourced from PubChem (CID 71486540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).