ethyl (4E,6Z,10S)-10-[tert-butyl(dimethyl)silyl]oxyundeca-4,6-dienoate

C19H36O3Si — CID 134980795

IUPACethyl (4E,6Z,10S)-10-[tert-butyl(dimethyl)silyl]oxyundeca-4,6-dienoate
SMILESCCOC(=O)CC/C=C/C=C\CC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O3Si/c1-8-21-18(20)16-14-12-10-9-11-13-15-17(2)22-23(6,7)19(3,4)5/h9-12,17H,8,13-16H2,1-7H3/b11-9-,12-10+/t17-/m0/s1
InChIKeyQHXAMDWUVPMJCO-ABOWTFMHSA-N
MW340.58 g/mol
LogP5.63
Rot. Bonds10

About ethyl (4E,6Z,10S)-10-[tert-butyl(dimethyl)silyl]oxyundeca-4,6-dienoate

ethyl (4E,6Z,10S)-10-[tert-butyl(dimethyl)silyl]oxyundeca-4,6-dienoate (PubChem CID 134980795) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is ethyl (4E,6Z,10S)-10-[tert-butyl(dimethyl)silyl]oxyundeca-4,6-dienoate.

Molecular Properties

Compound Nameethyl (4E,6Z,10S)-10-[tert-butyl(dimethyl)silyl]oxyundeca-4,6-dienoate
PubChem CID134980795
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Nameethyl (4E,6Z,10S)-10-[tert-butyl(dimethyl)silyl]oxyundeca-4,6-dienoate
SMILESCCOC(=O)CC/C=C/C=C\CC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O3Si/c1-8-21-18(20)16-14-12-10-9-11-13-15-17(2)22-23(6,7)19(3,4)5/h9-12,17H,8,13-16H2,1-7H3/b11-9-,12-10+/t17-/m0/s1
InChIKeyQHXAMDWUVPMJCO-ABOWTFMHSA-N
XLogP5.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3,6,7-tetrahydrooxocin-8-one
CID 11623556
[(E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylidenenon-5-enyl] acetate
CID 102216395
ethyl (E,9S)-9-[tert-butyl(dimethyl)silyl]oxydec-3-en-5-ynoate
CID 134887280
ethyl (4E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-4,6-dienoate
CID 134918433
methyl (11R,12E,14Z)-11-[tert-butyl(dimethyl)silyl]oxyicosa-12,14-dien-5,8-diynoate
CID 134976599
methyl (5Z,8Z,11Z,14Z,16E,18R)-18-[tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,14,16-pentaenoate
CID 138982538
(5E,8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-1-oxacyclotetradec-5-en-2-one
CID 10862501
Z,Z,Z,E,Z-14-Hydroxydocosa-4,7,10,12,16-pentaenoic acid, methyl ester, trimethylsilyl ether
CID 91696969
ethyl (E)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enoate
CID 10071970
ethyl (Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enoate
CID 10478458
methyl (9E,11E)-7-[tert-butyl(dimethyl)silyl]oxy-8-methyltetradeca-9,11-dien-4,13-diynoate
CID 59153448
[tert-butyl(dimethyl)silyl] (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-[tert-butyl(dimethyl)silyl]oxydocosa-4,7,10,13,15,19-hexaenoate
CID 59372888

Frequently Asked Questions

What is the IUPAC name of ethyl (4E,6Z,10S)-10-[tert-butyl(dimethyl)silyl]oxyundeca-4,6-dienoate?
The IUPAC name of ethyl (4E,6Z,10S)-10-[tert-butyl(dimethyl)silyl]oxyundeca-4,6-dienoate (CID 134980795) is ethyl (4E,6Z,10S)-10-[tert-butyl(dimethyl)silyl]oxyundeca-4,6-dienoate.
What is the SMILES notation for ethyl (4E,6Z,10S)-10-[tert-butyl(dimethyl)silyl]oxyundeca-4,6-dienoate?
The canonical SMILES for ethyl (4E,6Z,10S)-10-[tert-butyl(dimethyl)silyl]oxyundeca-4,6-dienoate is CCOC(=O)CC/C=C/C=C\CC[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (4E,6Z,10S)-10-[tert-butyl(dimethyl)silyl]oxyundeca-4,6-dienoate?
The InChIKey is QHXAMDWUVPMJCO-ABOWTFMHSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-8-21-18(20)16-14-12-10-9-11-13-15-17(2)22-23(6,7)19(3,4)5/h9-12,17H,8,13-16H2,1-7H3/b11-9-,12-10+/t17-/m0/s1.
What are the key properties of ethyl (4E,6Z,10S)-10-[tert-butyl(dimethyl)silyl]oxyundeca-4,6-dienoate?
ethyl (4E,6Z,10S)-10-[tert-butyl(dimethyl)silyl]oxyundeca-4,6-dienoate has a molecular weight of 340.58 g/mol, XLogP of 5.63, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4E,6Z,10S)-10-[tert-butyl(dimethyl)silyl]oxyundeca-4,6-dienoate is sourced from PubChem (CID 134980795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).