(5Z,6Z)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol

C18H22N4O4 — CID 6398974

IUPAC(5Z,6Z)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol
SMILESOCC(O)C(O)C(O)C(/C=N\Nc1ccccc1)=N\Nc1ccccc1
InChIInChI=1S/C18H22N4O4/c23-12-16(24)18(26)17(25)15(22-21-14-9-5-2-6-10-14)11-19-20-13-7-3-1-4-8-13/h1-11,16-18,20-21,23-26H,12H2/b19-11-,22-15-
InChIKeyBZVNQJMWJJOFFB-VGMBXLKVSA-N
MW358.40 g/mol
LogP0.63
Rot. Bonds9

About (5Z,6Z)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol

(5Z,6Z)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol (PubChem CID 6398974) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is (5Z,6Z)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(5Z,6Z)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol
PubChem CID6398974
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name(5Z,6Z)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol
SMILESOCC(O)C(O)C(O)C(/C=N\Nc1ccccc1)=N\Nc1ccccc1
InChIInChI=1S/C18H22N4O4/c23-12-16(24)18(26)17(25)15(22-21-14-9-5-2-6-10-14)11-19-20-13-7-3-1-4-8-13/h1-11,16-18,20-21,23-26H,12H2/b19-11-,22-15-
InChIKeyBZVNQJMWJJOFFB-VGMBXLKVSA-N
XLogP0.63
TPSA129.70 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 50.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z,6Z)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol?
The IUPAC name of (5Z,6Z)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol (CID 6398974) is (5Z,6Z)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol.
What is the SMILES notation for (5Z,6Z)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol?
The canonical SMILES for (5Z,6Z)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol is OCC(O)C(O)C(O)C(/C=N\Nc1ccccc1)=N\Nc1ccccc1.
What is the InChIKey of (5Z,6Z)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol?
The InChIKey is BZVNQJMWJJOFFB-VGMBXLKVSA-N. The full InChI is InChI=1S/C18H22N4O4/c23-12-16(24)18(26)17(25)15(22-21-14-9-5-2-6-10-14)11-19-20-13-7-3-1-4-8-13/h1-11,16-18,20-21,23-26H,12H2/b19-11-,22-15-.
What are the key properties of (5Z,6Z)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol?
(5Z,6Z)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol has a molecular weight of 358.40 g/mol, XLogP of 0.63, 9 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol is sourced from PubChem (CID 6398974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).