methyl (2E,4E,6E,8E,10E,12E)-15-[tert-butyl(dimethyl)silyl]oxypentadeca-2,4,6,8,10,12-hexaenoate

C22H34O3Si — CID 101181431

IUPACmethyl (2E,4E,6E,8E,10E,12E)-15-[tert-butyl(dimethyl)silyl]oxypentadeca-2,4,6,8,10,12-hexaenoate
SMILESCOC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H34O3Si/c1-22(2,3)26(5,6)25-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21(23)24-4/h7-17,19H,18,20H2,1-6H3/b8-7+,11-9+,12-10+,15-13+,16-14+,19-17+
InChIKeyWNBMPWOQUCRLKR-WMNCSZHSSA-N
MW374.60 g/mol
LogP5.91
Rot. Bonds10

About methyl (2E,4E,6E,8E,10E,12E)-15-[tert-butyl(dimethyl)silyl]oxypentadeca-2,4,6,8,10,12-hexaenoate

methyl (2E,4E,6E,8E,10E,12E)-15-[tert-butyl(dimethyl)silyl]oxypentadeca-2,4,6,8,10,12-hexaenoate (PubChem CID 101181431) has the molecular formula C22H34O3Si and a molecular weight of 374.60 g/mol. Its IUPAC name is methyl (2E,4E,6E,8E,10E,12E)-15-[tert-butyl(dimethyl)silyl]oxypentadeca-2,4,6,8,10,12-hexaenoate.

Molecular Properties

Compound Namemethyl (2E,4E,6E,8E,10E,12E)-15-[tert-butyl(dimethyl)silyl]oxypentadeca-2,4,6,8,10,12-hexaenoate
PubChem CID101181431
Molecular FormulaC22H34O3Si
Molecular Weight374.60 g/mol
Exact Mass374.23
IUPAC Namemethyl (2E,4E,6E,8E,10E,12E)-15-[tert-butyl(dimethyl)silyl]oxypentadeca-2,4,6,8,10,12-hexaenoate
SMILESCOC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H34O3Si/c1-22(2,3)26(5,6)25-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21(23)24-4/h7-17,19H,18,20H2,1-6H3/b8-7+,11-9+,12-10+,15-13+,16-14+,19-17+
InChIKeyWNBMPWOQUCRLKR-WMNCSZHSSA-N
XLogP5.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.60
LogP ≤ 55.91
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze methyl (2E,4E,6E,8E,10E,12E)-15-[tert-butyl(dimethyl)silyl]oxypentadeca-2,4,6,8,10,12-hexaenoate with MolForge

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Related Compounds

ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate
CID 11186803
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838010
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838011
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 134907379
[(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
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
(E)-5-(tert-butyl-dimethyl-silanyloxy)-pent-2-enoic acid methyl ester
CID 11630130
tert-butyl (2E,4E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylnona-2,4-dienoate
CID 11824407
ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate
CID 5468979
ethenyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate
CID 23394360

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E,6E,8E,10E,12E)-15-[tert-butyl(dimethyl)silyl]oxypentadeca-2,4,6,8,10,12-hexaenoate?
The IUPAC name of methyl (2E,4E,6E,8E,10E,12E)-15-[tert-butyl(dimethyl)silyl]oxypentadeca-2,4,6,8,10,12-hexaenoate (CID 101181431) is methyl (2E,4E,6E,8E,10E,12E)-15-[tert-butyl(dimethyl)silyl]oxypentadeca-2,4,6,8,10,12-hexaenoate.
What is the SMILES notation for methyl (2E,4E,6E,8E,10E,12E)-15-[tert-butyl(dimethyl)silyl]oxypentadeca-2,4,6,8,10,12-hexaenoate?
The canonical SMILES for methyl (2E,4E,6E,8E,10E,12E)-15-[tert-butyl(dimethyl)silyl]oxypentadeca-2,4,6,8,10,12-hexaenoate is COC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2E,4E,6E,8E,10E,12E)-15-[tert-butyl(dimethyl)silyl]oxypentadeca-2,4,6,8,10,12-hexaenoate?
The InChIKey is WNBMPWOQUCRLKR-WMNCSZHSSA-N. The full InChI is InChI=1S/C22H34O3Si/c1-22(2,3)26(5,6)25-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21(23)24-4/h7-17,19H,18,20H2,1-6H3/b8-7+,11-9+,12-10+,15-13+,16-14+,19-17+.
What are the key properties of methyl (2E,4E,6E,8E,10E,12E)-15-[tert-butyl(dimethyl)silyl]oxypentadeca-2,4,6,8,10,12-hexaenoate?
methyl (2E,4E,6E,8E,10E,12E)-15-[tert-butyl(dimethyl)silyl]oxypentadeca-2,4,6,8,10,12-hexaenoate has a molecular weight of 374.60 g/mol, XLogP of 5.91, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E,6E,8E,10E,12E)-15-[tert-butyl(dimethyl)silyl]oxypentadeca-2,4,6,8,10,12-hexaenoate is sourced from PubChem (CID 101181431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).