disodium;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienal;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienoic acid;dioxophosphanium;hydride;chlorite

C72H109ClNa2O9PSi2+ — CID 160707088

IUPACdisodium;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienal;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienoic acid;dioxophosphanium;hydride;chlorite
SMILESCCC(CC/C=C\CCCCCCC/C=C\CCCC(=O)O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CCC(CC/C=C\CCCCCCC/C=C\CCCC=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.O=[P+]=O.[H-].[Na+].[Na+].[O-][Cl+][O-]
InChIInChI=1S/C36H54O3Si.C36H54O2Si.ClO2.2Na.O2P.H/c1-5-32(26-20-16-14-12-10-8-6-7-9-11-13-15-17-25-31-35(37)38)39-40(36(2,3)4,33-27-21-18-22-28-33)34-29-23-19-24-30-34;1-5-33(27-21-17-15-13-11-9-7-6-8-10-12-14-16-18-26-32-37)38-39(36(2,3)4,34-28-22-19-23-29-34)35-30-24-20-25-31-35;2-1-3;;;1-3-2;/h13-16,18-19,21-24,27-30,32H,5-12,17,20,25-26,31H2,1-4H3,(H,37,38);12,14-15,17,19-20,22-25,28-33H,5-11,13,16,18,21,26-27H2,1-4H3;;;;;/q;;-1;3*+1;-1/b15-13-,16-14-;14-12-,17-15-;;;;;
InChIKeyFJHHFTWCZJSPDN-LUBAQGLTSA-N
MW1287.23 g/mol
LogP10.92
Rot. Bonds40

About disodium;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienal;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienoic acid;dioxophosphanium;hydride;chlorite

disodium;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienal;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienoic acid;dioxophosphanium;hydride;chlorite (PubChem CID 160707088) has the molecular formula C72H109ClNa2O9PSi2+ and a molecular weight of 1287.23 g/mol. Its IUPAC name is disodium;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienal;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienoic acid;dioxophosphanium;hydride;chlorite.

Molecular Properties

Compound Namedisodium;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienal;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienoic acid;dioxophosphanium;hydride;chlorite
PubChem CID160707088
Molecular FormulaC72H109ClNa2O9PSi2+
Molecular Weight1287.23 g/mol
Exact Mass1285.68
IUPAC Namedisodium;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienal;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienoic acid;dioxophosphanium;hydride;chlorite
SMILESCCC(CC/C=C\CCCCCCC/C=C\CCCC(=O)O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CCC(CC/C=C\CCCCCCC/C=C\CCCC=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.O=[P+]=O.[H-].[Na+].[Na+].[O-][Cl+][O-]
InChIInChI=1S/C36H54O3Si.C36H54O2Si.ClO2.2Na.O2P.H/c1-5-32(26-20-16-14-12-10-8-6-7-9-11-13-15-17-25-31-35(37)38)39-40(36(2,3)4,33-27-21-18-22-28-33)34-29-23-19-24-30-34;1-5-33(27-21-17-15-13-11-9-7-6-8-10-12-14-16-18-26-32-37)38-39(36(2,3)4,34-28-22-19-23-29-34)35-30-24-20-25-31-35;2-1-3;;;1-3-2;/h13-16,18-19,21-24,27-30,32H,5-12,17,20,25-26,31H2,1-4H3,(H,37,38);12,14-15,17,19-20,22-25,28-33H,5-11,13,16,18,21,26-27H2,1-4H3;;;;;/q;;-1;3*+1;-1/b15-13-,16-14-;14-12-,17-15-;;;;;
InChIKeyFJHHFTWCZJSPDN-LUBAQGLTSA-N
XLogP10.92
TPSA153.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds40
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001287.23
LogP ≤ 510.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze disodium;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienal;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienoic acid;dioxophosphanium;hydride;chlorite with MolForge

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Related Compounds

(Z)-18-[tert-butyl(diphenyl)silyl]oxyicos-14-en-1-ol
CID 153316540
(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enoic acid
CID 23117699
10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid
CID 123768020
tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
CID 140673619
(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 24755231
tert-butyl-(1-iodopentan-3-yloxy)-diphenylsilane
CID 11080903
(Z)-19-[tert-butyl(diphenyl)silyl]oxyicos-5-en-1-ol
CID 153316559
[(5Z,24Z)-15-[tert-butyl(diphenyl)silyl]oxy-29-formylperoxynonacosa-5,24-dienyl] formate
CID 164754063
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-6-iodohexanoic acid
CID 134940913
[(2S)-2-[tert-butyl(diphenyl)silyl]oxytetradecyl] 2,2-dimethylpropanoate
CID 134839010
(2S)-4-[(2R,5E,8R,11E,15E,19E)-2-[tert-butyl(diphenyl)silyl]oxy-8-hydroxydotriaconta-5,11,15,19-tetraenyl]-2-methyl-2H-furan-5-one
CID 11040097
16-[tert-butyl(diphenyl)silyl]oxyheptadec-4-yn-1-ol;(Z)-19-[tert-butyl(diphenyl)silyl]oxyicos-5-en-1-ol;methane;molecular hydrogen
CID 158614874

Frequently Asked Questions

What is the IUPAC name of disodium;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienal;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienoic acid;dioxophosphanium;hydride;chlorite?
The IUPAC name of disodium;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienal;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienoic acid;dioxophosphanium;hydride;chlorite (CID 160707088) is disodium;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienal;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienoic acid;dioxophosphanium;hydride;chlorite.
What is the SMILES notation for disodium;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienal;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienoic acid;dioxophosphanium;hydride;chlorite?
The canonical SMILES for disodium;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienal;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienoic acid;dioxophosphanium;hydride;chlorite is CCC(CC/C=C\CCCCCCC/C=C\CCCC(=O)O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CCC(CC/C=C\CCCCCCC/C=C\CCCC=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.O=[P+]=O.[H-].[Na+].[Na+].[O-][Cl+][O-].
What is the InChIKey of disodium;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienal;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienoic acid;dioxophosphanium;hydride;chlorite?
The InChIKey is FJHHFTWCZJSPDN-LUBAQGLTSA-N. The full InChI is InChI=1S/C36H54O3Si.C36H54O2Si.ClO2.2Na.O2P.H/c1-5-32(26-20-16-14-12-10-8-6-7-9-11-13-15-17-25-31-35(37)38)39-40(36(2,3)4,33-27-21-18-22-28-33)34-29-23-19-24-30-34;1-5-33(27-21-17-15-13-11-9-7-6-8-10-12-14-16-18-26-32-37)38-39(36(2,3)4,34-28-22-19-23-29-34)35-30-24-20-25-31-35;2-1-3;;;1-3-2;/h13-16,18-19,21-24,27-30,32H,5-12,17,20,25-26,31H2,1-4H3,(H,37,38);12,14-15,17,19-20,22-25,28-33H,5-11,13,16,18,21,26-27H2,1-4H3;;;;;/q;;-1;3*+1;-1/b15-13-,16-14-;14-12-,17-15-;;;;;.
What are the key properties of disodium;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienal;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienoic acid;dioxophosphanium;hydride;chlorite?
disodium;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienal;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienoic acid;dioxophosphanium;hydride;chlorite has a molecular weight of 1287.23 g/mol, XLogP of 10.92, 40 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienal;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienoic acid;dioxophosphanium;hydride;chlorite is sourced from PubChem (CID 160707088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).