docosanoic acid;1,1,2-triethyl-2-pentylhydrazine

C33H70N2O2 — CID 174949501

IUPACdocosanoic acid;1,1,2-triethyl-2-pentylhydrazine
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O.CCCCCN(CC)N(CC)CC
InChIInChI=1S/C22H44O2.C11H26N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-5-9-10-11-13(8-4)12(6-2)7-3/h2-21H2,1H3,(H,23,24);5-11H2,1-4H3
InChIKeyYHURHPDZGVWPNX-UHFFFAOYSA-N
MW526.94 g/mol
LogP10.65
Rot. Bonds28

About docosanoic acid;1,1,2-triethyl-2-pentylhydrazine

docosanoic acid;1,1,2-triethyl-2-pentylhydrazine (PubChem CID 174949501) has the molecular formula C33H70N2O2 and a molecular weight of 526.94 g/mol. Its IUPAC name is docosanoic acid;1,1,2-triethyl-2-pentylhydrazine.

Molecular Properties

Compound Namedocosanoic acid;1,1,2-triethyl-2-pentylhydrazine
PubChem CID174949501
Molecular FormulaC33H70N2O2
Molecular Weight526.94 g/mol
Exact Mass526.54
IUPAC Namedocosanoic acid;1,1,2-triethyl-2-pentylhydrazine
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O.CCCCCN(CC)N(CC)CC
InChIInChI=1S/C22H44O2.C11H26N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-5-9-10-11-13(8-4)12(6-2)7-3/h2-21H2,1H3,(H,23,24);5-11H2,1-4H3
InChIKeyYHURHPDZGVWPNX-UHFFFAOYSA-N
XLogP10.65
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.94
LogP ≤ 510.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 101314498
henicosane;tetracontanoic acid
CID 175935348
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912

Frequently Asked Questions

What is the IUPAC name of docosanoic acid;1,1,2-triethyl-2-pentylhydrazine?
The IUPAC name of docosanoic acid;1,1,2-triethyl-2-pentylhydrazine (CID 174949501) is docosanoic acid;1,1,2-triethyl-2-pentylhydrazine.
What is the SMILES notation for docosanoic acid;1,1,2-triethyl-2-pentylhydrazine?
The canonical SMILES for docosanoic acid;1,1,2-triethyl-2-pentylhydrazine is CCCCCCCCCCCCCCCCCCCCCC(=O)O.CCCCCN(CC)N(CC)CC.
What is the InChIKey of docosanoic acid;1,1,2-triethyl-2-pentylhydrazine?
The InChIKey is YHURHPDZGVWPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2.C11H26N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-5-9-10-11-13(8-4)12(6-2)7-3/h2-21H2,1H3,(H,23,24);5-11H2,1-4H3.
What are the key properties of docosanoic acid;1,1,2-triethyl-2-pentylhydrazine?
docosanoic acid;1,1,2-triethyl-2-pentylhydrazine has a molecular weight of 526.94 g/mol, XLogP of 10.65, 28 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for docosanoic acid;1,1,2-triethyl-2-pentylhydrazine is sourced from PubChem (CID 174949501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).