1-(3,7-dimethyloct-7-enyl)-1-phenylhydrazine;2-hydroxypropane-1,2,3-tricarboxylic acid

C22H34N2O7 — CID 2750408

IUPAC1-(3,7-dimethyloct-7-enyl)-1-phenylhydrazine;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESC=C(C)CCCC(C)CCN(N)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C16H26N2.C6H8O7/c1-14(2)8-7-9-15(3)12-13-18(17)16-10-5-4-6-11-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,10-11,15H,1,7-9,12-13,17H2,2-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyDASQAPSWBUGNGQ-UHFFFAOYSA-N
MW438.52 g/mol
LogP2.89
Rot. Bonds13

About 1-(3,7-dimethyloct-7-enyl)-1-phenylhydrazine;2-hydroxypropane-1,2,3-tricarboxylic acid

1-(3,7-dimethyloct-7-enyl)-1-phenylhydrazine;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 2750408) has the molecular formula C22H34N2O7 and a molecular weight of 438.52 g/mol. Its IUPAC name is 1-(3,7-dimethyloct-7-enyl)-1-phenylhydrazine;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name1-(3,7-dimethyloct-7-enyl)-1-phenylhydrazine;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID2750408
Molecular FormulaC22H34N2O7
Molecular Weight438.52 g/mol
Exact Mass438.24
IUPAC Name1-(3,7-dimethyloct-7-enyl)-1-phenylhydrazine;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESC=C(C)CCCC(C)CCN(N)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C16H26N2.C6H8O7/c1-14(2)8-7-9-15(3)12-13-18(17)16-10-5-4-6-11-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,10-11,15H,1,7-9,12-13,17H2,2-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyDASQAPSWBUGNGQ-UHFFFAOYSA-N
XLogP2.89
TPSA161.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 52.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethyloct-7-enyl)-1-phenylhydrazine;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of 1-(3,7-dimethyloct-7-enyl)-1-phenylhydrazine;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 2750408) is 1-(3,7-dimethyloct-7-enyl)-1-phenylhydrazine;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for 1-(3,7-dimethyloct-7-enyl)-1-phenylhydrazine;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for 1-(3,7-dimethyloct-7-enyl)-1-phenylhydrazine;2-hydroxypropane-1,2,3-tricarboxylic acid is C=C(C)CCCC(C)CCN(N)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of 1-(3,7-dimethyloct-7-enyl)-1-phenylhydrazine;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is DASQAPSWBUGNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2.C6H8O7/c1-14(2)8-7-9-15(3)12-13-18(17)16-10-5-4-6-11-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,10-11,15H,1,7-9,12-13,17H2,2-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12).
What are the key properties of 1-(3,7-dimethyloct-7-enyl)-1-phenylhydrazine;2-hydroxypropane-1,2,3-tricarboxylic acid?
1-(3,7-dimethyloct-7-enyl)-1-phenylhydrazine;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 438.52 g/mol, XLogP of 2.89, 13 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethyloct-7-enyl)-1-phenylhydrazine;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 2750408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).