ethyl (2E,6Z,10E,14E,18E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaenoate

C38H66O3Si — CID 15895664

IUPACethyl (2E,6Z,10E,14E,18E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaenoate
SMILESCCOC(=O)/C(C)=C/CC/C(=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C38H66O3Si/c1-13-40-37(39)35(7)27-19-29-36(30-41-42(11,12)38(8,9)10)28-18-26-33(5)22-15-14-21-32(4)24-17-25-34(6)23-16-20-31(2)3/h20-22,25,27-28H,13-19,23-24,26,29-30H2,1-12H3/b32-21+,33-22+,34-25+,35-27+,36-28-
InChIKeyOHYCGDSQJAFCGT-IOPLIICCSA-N
MW599.03 g/mol
LogP12.15
Rot. Bonds20

About ethyl (2E,6Z,10E,14E,18E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaenoate

ethyl (2E,6Z,10E,14E,18E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaenoate (PubChem CID 15895664) has the molecular formula C38H66O3Si and a molecular weight of 599.03 g/mol. Its IUPAC name is ethyl (2E,6Z,10E,14E,18E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaenoate.

Molecular Properties

Compound Nameethyl (2E,6Z,10E,14E,18E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaenoate
PubChem CID15895664
Molecular FormulaC38H66O3Si
Molecular Weight599.03 g/mol
Exact Mass598.48
IUPAC Nameethyl (2E,6Z,10E,14E,18E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaenoate
SMILESCCOC(=O)/C(C)=C/CC/C(=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C38H66O3Si/c1-13-40-37(39)35(7)27-19-29-36(30-41-42(11,12)38(8,9)10)28-18-26-33(5)22-15-14-21-32(4)24-17-25-34(6)23-16-20-31(2)3/h20-22,25,27-28H,13-19,23-24,26,29-30H2,1-12H3/b32-21+,33-22+,34-25+,35-27+,36-28-
InChIKeyOHYCGDSQJAFCGT-IOPLIICCSA-N
XLogP12.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.03
LogP ≤ 512.15
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (2E,6Z,10E,14E,18E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaenoate with MolForge

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Related Compounds

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tert-butyl-[(2E,6E)-8-chloro-2,6-dimethylocta-2,6-dienoxy]-dimethylsilane
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ethyl (2E,6E,10E,14E)-2,3,7,11,15,19-hexamethylicosa-2,6,10,14,18-pentaenoate
CID 88897643
ethyl (4Z,8Z,12Z,16Z,20Z,24Z,28Z,32Z,36Z,40Z,44Z,48E,52E)-5,9,13,17,21,25,29,33,37,41,45,49,53,57-tetradecamethyloctapentaconta-4,8,12,16,20,24,28,32,36,40,44,48,52,56-tetradecaenoate
CID 11491628
ethyl (4Z)-4-ethylidene-8-methyl-2-methylidenenon-7-enoate
CID 134858518
ethyl (6E)-2,2,7,11-tetramethyl-3-oxododeca-6,10-dienoate
CID 71815721
ethyl (2Z,6E,10E)-2-chloro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate
CID 168749422
2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoic acid
CID 88524635
(E)-6-ethoxy-5-methyl-6-oxohex-4-enoic acid
CID 10679113
1-O-ethyl 8-O-methyl (2E,6Z)-2-methyl-6-propylocta-2,6-dienedioate
CID 10468246
ethyl (2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoate
CID 53482566

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,6Z,10E,14E,18E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaenoate?
The IUPAC name of ethyl (2E,6Z,10E,14E,18E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaenoate (CID 15895664) is ethyl (2E,6Z,10E,14E,18E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaenoate.
What is the SMILES notation for ethyl (2E,6Z,10E,14E,18E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaenoate?
The canonical SMILES for ethyl (2E,6Z,10E,14E,18E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaenoate is CCOC(=O)/C(C)=C/CC/C(=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2E,6Z,10E,14E,18E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaenoate?
The InChIKey is OHYCGDSQJAFCGT-IOPLIICCSA-N. The full InChI is InChI=1S/C38H66O3Si/c1-13-40-37(39)35(7)27-19-29-36(30-41-42(11,12)38(8,9)10)28-18-26-33(5)22-15-14-21-32(4)24-17-25-34(6)23-16-20-31(2)3/h20-22,25,27-28H,13-19,23-24,26,29-30H2,1-12H3/b32-21+,33-22+,34-25+,35-27+,36-28-.
What are the key properties of ethyl (2E,6Z,10E,14E,18E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaenoate?
ethyl (2E,6Z,10E,14E,18E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaenoate has a molecular weight of 599.03 g/mol, XLogP of 12.15, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,6Z,10E,14E,18E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaenoate is sourced from PubChem (CID 15895664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).