oxalic acid;6-phenylhexan-2-ylhydrazine

C14H22N2O4 — CID 28623

IUPACoxalic acid;6-phenylhexan-2-ylhydrazine
SMILESCC(CCCCc1ccccc1)NN.O=C(O)C(=O)O
InChIInChI=1S/C12H20N2.C2H2O4/c1-11(14-13)7-5-6-10-12-8-3-2-4-9-12;3-1(4)2(5)6/h2-4,8-9,11,14H,5-7,10,13H2,1H3;(H,3,4)(H,5,6)
InChIKeyBFGDCWCWSMPMPZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.41
Rot. Bonds6

About oxalic acid;6-phenylhexan-2-ylhydrazine

oxalic acid;6-phenylhexan-2-ylhydrazine (PubChem CID 28623) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is oxalic acid;6-phenylhexan-2-ylhydrazine.

Molecular Properties

Compound Nameoxalic acid;6-phenylhexan-2-ylhydrazine
PubChem CID28623
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nameoxalic acid;6-phenylhexan-2-ylhydrazine
SMILESCC(CCCCc1ccccc1)NN.O=C(O)C(=O)O
InChIInChI=1S/C12H20N2.C2H2O4/c1-11(14-13)7-5-6-10-12-8-3-2-4-9-12;3-1(4)2(5)6/h2-4,8-9,11,14H,5-7,10,13H2,1H3;(H,3,4)(H,5,6)
InChIKeyBFGDCWCWSMPMPZ-UHFFFAOYSA-N
XLogP1.41
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzylhydrazinium oxalate (1:1)
CID 13000183
Mebanazine oxalate
CID 16472
Hydrazine, (alpha-methylphenethyl)-, oxalate (1:1)
CID 15622
Hydrazine, (3-phenylpropyl)-, ethanedioate (1:1)
CID 18808
Acetic acid, 2-(3-phenylpropyl)hydrazide, oxalate (1:1)
CID 27065
Hydrazine, (1-methyl-3-phenylpropyl)-, ethanedioate (1:1)
CID 28621
Hydrazine, (p-fluoro-alpha-methylbenzyl)-, oxalate
CID 53243
Oxalic acid--(1-phenylpropyl)hydrazine (1/1)
CID 53245
Hydrazine, (3-(p-chlorophenyl)-1-methylpropyl)-, oxalate (1:1)
CID 203771
(2S)-2-[2-(2-phenylethyl)hydrazinyl]propanoic acid
CID 69047916
1-Acetato-4-benzyl-triazacyclononane
CID 129887135
(Benzylamino)azanium;2-hydroxy-2-oxoacetate
CID 56842598

Frequently Asked Questions

What is the IUPAC name of oxalic acid;6-phenylhexan-2-ylhydrazine?
The IUPAC name of oxalic acid;6-phenylhexan-2-ylhydrazine (CID 28623) is oxalic acid;6-phenylhexan-2-ylhydrazine.
What is the SMILES notation for oxalic acid;6-phenylhexan-2-ylhydrazine?
The canonical SMILES for oxalic acid;6-phenylhexan-2-ylhydrazine is CC(CCCCc1ccccc1)NN.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;6-phenylhexan-2-ylhydrazine?
The InChIKey is BFGDCWCWSMPMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2.C2H2O4/c1-11(14-13)7-5-6-10-12-8-3-2-4-9-12;3-1(4)2(5)6/h2-4,8-9,11,14H,5-7,10,13H2,1H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;6-phenylhexan-2-ylhydrazine?
oxalic acid;6-phenylhexan-2-ylhydrazine has a molecular weight of 282.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;6-phenylhexan-2-ylhydrazine is sourced from PubChem (CID 28623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).