[2,3-diacetyloxy-4,5-bis(phenylhydrazinylidene)pentyl] acetate

C23H26N4O6 — CID 6399146

IUPAC[2,3-diacetyloxy-4,5-bis(phenylhydrazinylidene)pentyl] acetate
SMILESCC(=O)OCC(OC(C)=O)C(OC(C)=O)C(C=NNc1ccccc1)=NNc1ccccc1
InChIInChI=1S/C23H26N4O6/c1-16(28)31-15-22(32-17(2)29)23(33-18(3)30)21(27-26-20-12-8-5-9-13-20)14-24-25-19-10-6-4-7-11-19/h4-14,22-23,25-26H,15H2,1-3H3
InChIKeyOVUCAKLNVHAKSM-UHFFFAOYSA-N
MW454.48 g/mol
LogP2.98
Rot. Bonds11

About [2,3-diacetyloxy-4,5-bis(phenylhydrazinylidene)pentyl] acetate

[2,3-diacetyloxy-4,5-bis(phenylhydrazinylidene)pentyl] acetate (PubChem CID 6399146) has the molecular formula C23H26N4O6 and a molecular weight of 454.48 g/mol. Its IUPAC name is [2,3-diacetyloxy-4,5-bis(phenylhydrazinylidene)pentyl] acetate.

Molecular Properties

Compound Name[2,3-diacetyloxy-4,5-bis(phenylhydrazinylidene)pentyl] acetate
PubChem CID6399146
Molecular FormulaC23H26N4O6
Molecular Weight454.48 g/mol
Exact Mass454.19
IUPAC Name[2,3-diacetyloxy-4,5-bis(phenylhydrazinylidene)pentyl] acetate
SMILESCC(=O)OCC(OC(C)=O)C(OC(C)=O)C(C=NNc1ccccc1)=NNc1ccccc1
InChIInChI=1S/C23H26N4O6/c1-16(28)31-15-22(32-17(2)29)23(33-18(3)30)21(27-26-20-12-8-5-9-13-20)14-24-25-19-10-6-4-7-11-19/h4-14,22-23,25-26H,15H2,1-3H3
InChIKeyOVUCAKLNVHAKSM-UHFFFAOYSA-N
XLogP2.98
TPSA127.68 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2,3,4-triacetyloxy-5,6-bis[(4-oxo-3H-quinazolin-2-yl)hydrazinylidene]hexyl] acetate
CID 135416120
[(5E,6Z)-2,3,4-triacetyloxy-5,6-bis[(4-oxo-3H-quinazolin-2-yl)hydrazinylidene]hexyl] acetate
CID 135505154
[(2S,3S,4R,5S)-2,3,4,5-tetraacetyloxy-6-anilino-6-oxohexyl] acetate
CID 2817327
(2S,4E)-3,4-bis(phenylhydrazinylidene)butane-1,2-diol
CID 72710757
2,3,4-triacetyloxybutanoic acid
CID 77215762
(2R,3R,4E,5Z)-4,5-bis(phenylhydrazinylidene)pentane-1,2,3-triol
CID 6409663
2-methylpropyl 3-oxo-4-(phenylhydrazinylidene)butanoate
CID 174291322
ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate
CID 90967313
(1Z,2Z,3S,4S,5S)-5-methoxy-1,2-bis(phenylhydrazinylidene)hexane-3,4-diol
CID 170858139
[(2S,3S)-3,4-diacetyloxy-2-phenylmethoxybutyl] acetate
CID 10806920
(2R,3R,4S,5E,6Z)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol
CID 7658673
[(2S,3R,4S,5E)-3-acetyloxy-4-methyl-5-(phenylhydrazinylidene)pentan-2-yl] acetate
CID 118443387

Frequently Asked Questions

What is the IUPAC name of [2,3-diacetyloxy-4,5-bis(phenylhydrazinylidene)pentyl] acetate?
The IUPAC name of [2,3-diacetyloxy-4,5-bis(phenylhydrazinylidene)pentyl] acetate (CID 6399146) is [2,3-diacetyloxy-4,5-bis(phenylhydrazinylidene)pentyl] acetate.
What is the SMILES notation for [2,3-diacetyloxy-4,5-bis(phenylhydrazinylidene)pentyl] acetate?
The canonical SMILES for [2,3-diacetyloxy-4,5-bis(phenylhydrazinylidene)pentyl] acetate is CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(C=NNc1ccccc1)=NNc1ccccc1.
What is the InChIKey of [2,3-diacetyloxy-4,5-bis(phenylhydrazinylidene)pentyl] acetate?
The InChIKey is OVUCAKLNVHAKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6/c1-16(28)31-15-22(32-17(2)29)23(33-18(3)30)21(27-26-20-12-8-5-9-13-20)14-24-25-19-10-6-4-7-11-19/h4-14,22-23,25-26H,15H2,1-3H3.
What are the key properties of [2,3-diacetyloxy-4,5-bis(phenylhydrazinylidene)pentyl] acetate?
[2,3-diacetyloxy-4,5-bis(phenylhydrazinylidene)pentyl] acetate has a molecular weight of 454.48 g/mol, XLogP of 2.98, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-diacetyloxy-4,5-bis(phenylhydrazinylidene)pentyl] acetate is sourced from PubChem (CID 6399146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).