tetrakis((Z)-octadec-9-enoic acid);2-[2,3,4,5,6-pentakis(2-hydroxyethoxy)hexoxy]ethanol

C90H174O20 — CID 6435886

IUPACtetrakis((Z)-octadec-9-enoic acid);2-[2,3,4,5,6-pentakis(2-hydroxyethoxy)hexoxy]ethanol
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O.OCCOCC(OCCO)C(OCCO)C(OCCO)C(COCCO)OCCO
InChIInChI=1S/C18H38O12.4C18H34O2/c19-1-7-25-13-15(27-9-3-21)17(29-11-5-23)18(30-12-6-24)16(28-10-4-22)14-26-8-2-20;4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h15-24H,1-14H2;4*9-10H,2-8,11-17H2,1H3,(H,19,20)/b;4*10-9-
InChIKeyBKQXIFUXIHZZSI-WBUFAJEVSA-N
MW1576.36 g/mol
LogP20.95
Rot. Bonds83

About tetrakis((Z)-octadec-9-enoic acid);2-[2,3,4,5,6-pentakis(2-hydroxyethoxy)hexoxy]ethanol

tetrakis((Z)-octadec-9-enoic acid);2-[2,3,4,5,6-pentakis(2-hydroxyethoxy)hexoxy]ethanol (PubChem CID 6435886) has the molecular formula C90H174O20 and a molecular weight of 1576.36 g/mol. Its IUPAC name is tetrakis((Z)-octadec-9-enoic acid);2-[2,3,4,5,6-pentakis(2-hydroxyethoxy)hexoxy]ethanol.

Molecular Properties

Compound Nametetrakis((Z)-octadec-9-enoic acid);2-[2,3,4,5,6-pentakis(2-hydroxyethoxy)hexoxy]ethanol
PubChem CID6435886
Molecular FormulaC90H174O20
Molecular Weight1576.36 g/mol
Exact Mass1575.26
IUPAC Nametetrakis((Z)-octadec-9-enoic acid);2-[2,3,4,5,6-pentakis(2-hydroxyethoxy)hexoxy]ethanol
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O.OCCOCC(OCCO)C(OCCO)C(OCCO)C(COCCO)OCCO
InChIInChI=1S/C18H38O12.4C18H34O2/c19-1-7-25-13-15(27-9-3-21)17(29-11-5-23)18(30-12-6-24)16(28-10-4-22)14-26-8-2-20;4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h15-24H,1-14H2;4*9-10H,2-8,11-17H2,1H3,(H,19,20)/b;4*10-9-
InChIKeyBKQXIFUXIHZZSI-WBUFAJEVSA-N
XLogP20.95
TPSA325.96 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds83
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001576.36
LogP ≤ 520.95
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis((Z)-octadec-9-enoic acid);2-[2,3,4,5,6-pentakis(2-hydroxyethoxy)hexoxy]ethanol?
The IUPAC name of tetrakis((Z)-octadec-9-enoic acid);2-[2,3,4,5,6-pentakis(2-hydroxyethoxy)hexoxy]ethanol (CID 6435886) is tetrakis((Z)-octadec-9-enoic acid);2-[2,3,4,5,6-pentakis(2-hydroxyethoxy)hexoxy]ethanol.
What is the SMILES notation for tetrakis((Z)-octadec-9-enoic acid);2-[2,3,4,5,6-pentakis(2-hydroxyethoxy)hexoxy]ethanol?
The canonical SMILES for tetrakis((Z)-octadec-9-enoic acid);2-[2,3,4,5,6-pentakis(2-hydroxyethoxy)hexoxy]ethanol is CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O.OCCOCC(OCCO)C(OCCO)C(OCCO)C(COCCO)OCCO.
What is the InChIKey of tetrakis((Z)-octadec-9-enoic acid);2-[2,3,4,5,6-pentakis(2-hydroxyethoxy)hexoxy]ethanol?
The InChIKey is BKQXIFUXIHZZSI-WBUFAJEVSA-N. The full InChI is InChI=1S/C18H38O12.4C18H34O2/c19-1-7-25-13-15(27-9-3-21)17(29-11-5-23)18(30-12-6-24)16(28-10-4-22)14-26-8-2-20;4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h15-24H,1-14H2;4*9-10H,2-8,11-17H2,1H3,(H,19,20)/b;4*10-9-.
What are the key properties of tetrakis((Z)-octadec-9-enoic acid);2-[2,3,4,5,6-pentakis(2-hydroxyethoxy)hexoxy]ethanol?
tetrakis((Z)-octadec-9-enoic acid);2-[2,3,4,5,6-pentakis(2-hydroxyethoxy)hexoxy]ethanol has a molecular weight of 1576.36 g/mol, XLogP of 20.95, 83 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis((Z)-octadec-9-enoic acid);2-[2,3,4,5,6-pentakis(2-hydroxyethoxy)hexoxy]ethanol is sourced from PubChem (CID 6435886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).