azane;12-hydroxyoctadecanoic acid

C18H39NO3 — CID 173370006

IUPACazane;12-hydroxyoctadecanoic acid
SMILESCCCCCCC(O)CCCCCCCCCCC(=O)O.N
InChIInChI=1S/C18H36O3.H3N/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);1H3
InChIKeyJNSUQKSYFLWIRB-UHFFFAOYSA-N
MW317.51 g/mol
LogP5.47
Rot. Bonds16

About azane;12-hydroxyoctadecanoic acid

azane;12-hydroxyoctadecanoic acid (PubChem CID 173370006) has the molecular formula C18H39NO3 and a molecular weight of 317.51 g/mol. Its IUPAC name is azane;12-hydroxyoctadecanoic acid.

Molecular Properties

Compound Nameazane;12-hydroxyoctadecanoic acid
PubChem CID173370006
Molecular FormulaC18H39NO3
Molecular Weight317.51 g/mol
Exact Mass317.29
IUPAC Nameazane;12-hydroxyoctadecanoic acid
SMILESCCCCCCC(O)CCCCCCCCCCC(=O)O.N
InChIInChI=1S/C18H36O3.H3N/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);1H3
InChIKeyJNSUQKSYFLWIRB-UHFFFAOYSA-N
XLogP5.47
TPSA92.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.51
LogP ≤ 55.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

21-hydroxyheptacosanoic acid
CID 169277079
(9R)-9-hydroxytetradecanoic acid
CID 22822871
14-hydroxypentacosanoic acid
CID 169276940
12-hydroxyheptadecanoic acid
CID 15110021
9-hydroxytriacontanoic acid
CID 169277258
hexadecan-7-ol;octadecanoic acid
CID 174589795
9-hydroxyheptadecanoic acid
CID 86012010
11-hydroxydocosanoic acid
CID 86066603
(8S)-8-hydroxytetradecanoic acid
CID 123133458
(7S)-7-hydroxyoctadecanoic acid
CID 162672751
12-hydroxyheptacosanoic acid
CID 169276954
20-hydroxyoctacosanoic acid
CID 169277392

Frequently Asked Questions

What is the IUPAC name of azane;12-hydroxyoctadecanoic acid?
The IUPAC name of azane;12-hydroxyoctadecanoic acid (CID 173370006) is azane;12-hydroxyoctadecanoic acid.
What is the SMILES notation for azane;12-hydroxyoctadecanoic acid?
The canonical SMILES for azane;12-hydroxyoctadecanoic acid is CCCCCCC(O)CCCCCCCCCCC(=O)O.N.
What is the InChIKey of azane;12-hydroxyoctadecanoic acid?
The InChIKey is JNSUQKSYFLWIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3.H3N/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);1H3.
What are the key properties of azane;12-hydroxyoctadecanoic acid?
azane;12-hydroxyoctadecanoic acid has a molecular weight of 317.51 g/mol, XLogP of 5.47, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;12-hydroxyoctadecanoic acid is sourced from PubChem (CID 173370006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).