ethyl (2E,4S,5R,6E,8E)-4-methyl-5-triethylsilyloxydeca-2,6,8-trienoate

C19H34O3Si — CID 101488817

IUPACethyl (2E,4S,5R,6E,8E)-4-methyl-5-triethylsilyloxydeca-2,6,8-trienoate
SMILESC/C=C/C=C/[C@@H](O[Si](CC)(CC)CC)[C@@H](C)/C=C/C(=O)OCC
InChIInChI=1S/C19H34O3Si/c1-7-12-13-14-18(22-23(9-3,10-4)11-5)17(6)15-16-19(20)21-8-2/h7,12-18H,8-11H2,1-6H3/b12-7+,14-13+,16-15+/t17-,18+/m0/s1
InChIKeyVSWSGXZBRFVDDZ-MISLCUHNSA-N
MW338.56 g/mol
LogP5.26
Rot. Bonds11

About ethyl (2E,4S,5R,6E,8E)-4-methyl-5-triethylsilyloxydeca-2,6,8-trienoate

ethyl (2E,4S,5R,6E,8E)-4-methyl-5-triethylsilyloxydeca-2,6,8-trienoate (PubChem CID 101488817) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is ethyl (2E,4S,5R,6E,8E)-4-methyl-5-triethylsilyloxydeca-2,6,8-trienoate.

Molecular Properties

Compound Nameethyl (2E,4S,5R,6E,8E)-4-methyl-5-triethylsilyloxydeca-2,6,8-trienoate
PubChem CID101488817
Molecular FormulaC19H34O3Si
Molecular Weight338.56 g/mol
Exact Mass338.23
IUPAC Nameethyl (2E,4S,5R,6E,8E)-4-methyl-5-triethylsilyloxydeca-2,6,8-trienoate
SMILESC/C=C/C=C/[C@@H](O[Si](CC)(CC)CC)[C@@H](C)/C=C/C(=O)OCC
InChIInChI=1S/C19H34O3Si/c1-7-12-13-14-18(22-23(9-3,10-4)11-5)17(6)15-16-19(20)21-8-2/h7,12-18H,8-11H2,1-6H3/b12-7+,14-13+,16-15+/t17-,18+/m0/s1
InChIKeyVSWSGXZBRFVDDZ-MISLCUHNSA-N
XLogP5.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.56
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate
CID 11186803
[(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate
CID 134946270
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
tert-butyl (2E,4E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylnona-2,4-dienoate
CID 11824407
ethyl (2E,4S,5S,6R,8E,10E)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldodeca-2,8,10-trienoate
CID 71546755
ethyl (E,4S)-5,5-dimethyl-4-triethylsilyloxyhex-2-enoate
CID 5468978
ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate
CID 5468979
methyl (2E,4E,8E,10E,14S)-7-[tert-butyl(dimethyl)silyl]oxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate
CID 10645825
diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate
CID 10838660
[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylhept-3-en-2-yl] acetate
CID 10859995
ethyl (E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 10901315
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-6-one
CID 10955748

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4S,5R,6E,8E)-4-methyl-5-triethylsilyloxydeca-2,6,8-trienoate?
The IUPAC name of ethyl (2E,4S,5R,6E,8E)-4-methyl-5-triethylsilyloxydeca-2,6,8-trienoate (CID 101488817) is ethyl (2E,4S,5R,6E,8E)-4-methyl-5-triethylsilyloxydeca-2,6,8-trienoate.
What is the SMILES notation for ethyl (2E,4S,5R,6E,8E)-4-methyl-5-triethylsilyloxydeca-2,6,8-trienoate?
The canonical SMILES for ethyl (2E,4S,5R,6E,8E)-4-methyl-5-triethylsilyloxydeca-2,6,8-trienoate is C/C=C/C=C/[C@@H](O[Si](CC)(CC)CC)[C@@H](C)/C=C/C(=O)OCC.
What is the InChIKey of ethyl (2E,4S,5R,6E,8E)-4-methyl-5-triethylsilyloxydeca-2,6,8-trienoate?
The InChIKey is VSWSGXZBRFVDDZ-MISLCUHNSA-N. The full InChI is InChI=1S/C19H34O3Si/c1-7-12-13-14-18(22-23(9-3,10-4)11-5)17(6)15-16-19(20)21-8-2/h7,12-18H,8-11H2,1-6H3/b12-7+,14-13+,16-15+/t17-,18+/m0/s1.
What are the key properties of ethyl (2E,4S,5R,6E,8E)-4-methyl-5-triethylsilyloxydeca-2,6,8-trienoate?
ethyl (2E,4S,5R,6E,8E)-4-methyl-5-triethylsilyloxydeca-2,6,8-trienoate has a molecular weight of 338.56 g/mol, XLogP of 5.26, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4S,5R,6E,8E)-4-methyl-5-triethylsilyloxydeca-2,6,8-trienoate is sourced from PubChem (CID 101488817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).