ethyl (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldec-2-enoate

C19H38O3Si — CID 134837965

IUPACethyl (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldec-2-enoate
SMILESCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C(=O)OCC
InChIInChI=1S/C19H38O3Si/c1-9-11-12-13-17(22-23(7,8)19(4,5)6)16(3)14-15-18(20)21-10-2/h14-17H,9-13H2,1-8H3/b15-14+/t16-,17-/m0/s1
InChIKeyYORVGGJUQPRRDT-WLFRDLTRSA-N
MW342.60 g/mol
LogP5.71
Rot. Bonds10

About ethyl (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldec-2-enoate

ethyl (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldec-2-enoate (PubChem CID 134837965) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is ethyl (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldec-2-enoate.

Molecular Properties

Compound Nameethyl (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldec-2-enoate
PubChem CID134837965
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Nameethyl (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldec-2-enoate
SMILESCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C(=O)OCC
InChIInChI=1S/C19H38O3Si/c1-9-11-12-13-17(22-23(7,8)19(4,5)6)16(3)14-15-18(20)21-10-2/h14-17H,9-13H2,1-8H3/b15-14+/t16-,17-/m0/s1
InChIKeyYORVGGJUQPRRDT-WLFRDLTRSA-N
XLogP5.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.71
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

(E)-tert-Butyl 11-(tert-butyldimethylsilyloxy)-2-undecenoate
CID 24859311
ethyl (2E,4S,5S,6R,8E,10E)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldodeca-2,8,10-trienoate
CID 71546755
(2S)-2-[(2R,3R)-3-tri(propan-2-yl)silyloxyhept-6-en-2-yl]-2,3-dihydropyran-6-one
CID 10926661
ethyl (E,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylhept-2-enoate
CID 11080521
2-trimethylsilylethyl (2E,6E)-2-methyl-7-[(2S,3S)-3-[(2S)-2-methyl-4-trimethylstannylpent-4-enyl]oxiran-2-yl]hepta-2,6-dienoate
CID 11191739
ethyl (E,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enoate
CID 11197810
methyl (2E,5R,6S,7S,8E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dienoate
CID 11259620
ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-enoate
CID 11403840
ethyl (2Z,4E,6R,7S)-7,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnona-2,4-dienoate
CID 11619467
(2R)-2-[(E,1R,2S,4R)-2,4,6-trimethyl-1-trimethylsilyloxyoct-6-enyl]-2H-furan-5-one
CID 11954682
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enoate
CID 14379849
ethyl (E)-3-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]prop-2-enoate
CID 15298242

Frequently Asked Questions

What is the IUPAC name of ethyl (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldec-2-enoate?
The IUPAC name of ethyl (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldec-2-enoate (CID 134837965) is ethyl (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldec-2-enoate.
What is the SMILES notation for ethyl (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldec-2-enoate?
The canonical SMILES for ethyl (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldec-2-enoate is CCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C(=O)OCC.
What is the InChIKey of ethyl (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldec-2-enoate?
The InChIKey is YORVGGJUQPRRDT-WLFRDLTRSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-9-11-12-13-17(22-23(7,8)19(4,5)6)16(3)14-15-18(20)21-10-2/h14-17H,9-13H2,1-8H3/b15-14+/t16-,17-/m0/s1.
What are the key properties of ethyl (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldec-2-enoate?
ethyl (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldec-2-enoate has a molecular weight of 342.60 g/mol, XLogP of 5.71, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldec-2-enoate is sourced from PubChem (CID 134837965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).