(6Z,16Z)-10,20-dimethoxy-1,2,11,12-tetraoxacycloicosa-6,16-diene-3,13-diol

C18H32O8 — CID 23267723

IUPAC(6Z,16Z)-10,20-dimethoxy-1,2,11,12-tetraoxacycloicosa-6,16-diene-3,13-diol
SMILESCOC1CC/C=C\CCC(O)OOC(OC)CC/C=C\CCC(O)OO1
InChIInChI=1S/C18H32O8/c1-21-17-13-9-5-3-7-12-16(20)24-26-18(22-2)14-10-6-4-8-11-15(19)23-25-17/h3-6,15-20H,7-14H2,1-2H3/b5-3-,6-4-
InChIKeyQPUWGTZKXMDLAN-GLIMQPGKSA-N
MW376.45 g/mol
LogP2.71
Rot. Bonds2

About (6Z,16Z)-10,20-dimethoxy-1,2,11,12-tetraoxacycloicosa-6,16-diene-3,13-diol

(6Z,16Z)-10,20-dimethoxy-1,2,11,12-tetraoxacycloicosa-6,16-diene-3,13-diol (PubChem CID 23267723) has the molecular formula C18H32O8 and a molecular weight of 376.45 g/mol. Its IUPAC name is (6Z,16Z)-10,20-dimethoxy-1,2,11,12-tetraoxacycloicosa-6,16-diene-3,13-diol.

Molecular Properties

Compound Name(6Z,16Z)-10,20-dimethoxy-1,2,11,12-tetraoxacycloicosa-6,16-diene-3,13-diol
PubChem CID23267723
Molecular FormulaC18H32O8
Molecular Weight376.45 g/mol
Exact Mass376.21
IUPAC Name(6Z,16Z)-10,20-dimethoxy-1,2,11,12-tetraoxacycloicosa-6,16-diene-3,13-diol
SMILESCOC1CC/C=C\CCC(O)OOC(OC)CC/C=C\CCC(O)OO1
InChIInChI=1S/C18H32O8/c1-21-17-13-9-5-3-7-12-16(20)24-26-18(22-2)14-10-6-4-8-11-15(19)23-25-17/h3-6,15-20H,7-14H2,1-2H3/b5-3-,6-4-
InChIKeyQPUWGTZKXMDLAN-GLIMQPGKSA-N
XLogP2.71
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z,16Z)-10,20-dimethoxy-1,2,11,12-tetraoxacycloicosa-6,16-diene-3,13-diol?
The IUPAC name of (6Z,16Z)-10,20-dimethoxy-1,2,11,12-tetraoxacycloicosa-6,16-diene-3,13-diol (CID 23267723) is (6Z,16Z)-10,20-dimethoxy-1,2,11,12-tetraoxacycloicosa-6,16-diene-3,13-diol.
What is the SMILES notation for (6Z,16Z)-10,20-dimethoxy-1,2,11,12-tetraoxacycloicosa-6,16-diene-3,13-diol?
The canonical SMILES for (6Z,16Z)-10,20-dimethoxy-1,2,11,12-tetraoxacycloicosa-6,16-diene-3,13-diol is COC1CC/C=C\CCC(O)OOC(OC)CC/C=C\CCC(O)OO1.
What is the InChIKey of (6Z,16Z)-10,20-dimethoxy-1,2,11,12-tetraoxacycloicosa-6,16-diene-3,13-diol?
The InChIKey is QPUWGTZKXMDLAN-GLIMQPGKSA-N. The full InChI is InChI=1S/C18H32O8/c1-21-17-13-9-5-3-7-12-16(20)24-26-18(22-2)14-10-6-4-8-11-15(19)23-25-17/h3-6,15-20H,7-14H2,1-2H3/b5-3-,6-4-.
What are the key properties of (6Z,16Z)-10,20-dimethoxy-1,2,11,12-tetraoxacycloicosa-6,16-diene-3,13-diol?
(6Z,16Z)-10,20-dimethoxy-1,2,11,12-tetraoxacycloicosa-6,16-diene-3,13-diol has a molecular weight of 376.45 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,16Z)-10,20-dimethoxy-1,2,11,12-tetraoxacycloicosa-6,16-diene-3,13-diol is sourced from PubChem (CID 23267723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).