(Z,11R)-22-amino-5-butyldocos-13-en-11-ol

C26H53NO — CID 140532016

IUPAC(Z,11R)-22-amino-5-butyldocos-13-en-11-ol
SMILESCCCCC(CCCC)CCCCC[C@@H](O)C/C=C\CCCCCCCCN
InChIInChI=1S/C26H53NO/c1-3-5-19-25(20-6-4-2)21-15-14-17-23-26(28)22-16-12-10-8-7-9-11-13-18-24-27/h12,16,25-26,28H,3-11,13-15,17-24,27H2,1-2H3/b16-12-/t26-/m0/s1
InChIKeyJGTGLDYHVMSCPT-UHWXHRANSA-N
MW395.72 g/mol
LogP7.93
Rot. Bonds22

About (Z,11R)-22-amino-5-butyldocos-13-en-11-ol

(Z,11R)-22-amino-5-butyldocos-13-en-11-ol (PubChem CID 140532016) has the molecular formula C26H53NO and a molecular weight of 395.72 g/mol. Its IUPAC name is (Z,11R)-22-amino-5-butyldocos-13-en-11-ol.

Molecular Properties

Compound Name(Z,11R)-22-amino-5-butyldocos-13-en-11-ol
PubChem CID140532016
Molecular FormulaC26H53NO
Molecular Weight395.72 g/mol
Exact Mass395.41
IUPAC Name(Z,11R)-22-amino-5-butyldocos-13-en-11-ol
SMILESCCCCC(CCCC)CCCCC[C@@H](O)C/C=C\CCCCCCCCN
InChIInChI=1S/C26H53NO/c1-3-5-19-25(20-6-4-2)21-15-14-17-23-26(28)22-16-12-10-8-7-9-11-13-18-24-27/h12,16,25-26,28H,3-11,13-15,17-24,27H2,1-2H3/b16-12-/t26-/m0/s1
InChIKeyJGTGLDYHVMSCPT-UHWXHRANSA-N
XLogP7.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.72
LogP ≤ 57.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,11R)-22-amino-5-butyldocos-13-en-11-ol?
The IUPAC name of (Z,11R)-22-amino-5-butyldocos-13-en-11-ol (CID 140532016) is (Z,11R)-22-amino-5-butyldocos-13-en-11-ol.
What is the SMILES notation for (Z,11R)-22-amino-5-butyldocos-13-en-11-ol?
The canonical SMILES for (Z,11R)-22-amino-5-butyldocos-13-en-11-ol is CCCCC(CCCC)CCCCC[C@@H](O)C/C=C\CCCCCCCCN.
What is the InChIKey of (Z,11R)-22-amino-5-butyldocos-13-en-11-ol?
The InChIKey is JGTGLDYHVMSCPT-UHWXHRANSA-N. The full InChI is InChI=1S/C26H53NO/c1-3-5-19-25(20-6-4-2)21-15-14-17-23-26(28)22-16-12-10-8-7-9-11-13-18-24-27/h12,16,25-26,28H,3-11,13-15,17-24,27H2,1-2H3/b16-12-/t26-/m0/s1.
What are the key properties of (Z,11R)-22-amino-5-butyldocos-13-en-11-ol?
(Z,11R)-22-amino-5-butyldocos-13-en-11-ol has a molecular weight of 395.72 g/mol, XLogP of 7.93, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,11R)-22-amino-5-butyldocos-13-en-11-ol is sourced from PubChem (CID 140532016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).