(Z,2R)-2-hydroxytetracos-17-en-3-ynoic acid

C24H42O3 — CID 44566798

IUPAC(Z,2R)-2-hydroxytetracos-17-en-3-ynoic acid
SMILESCCCCCC/C=C\CCCCCCCCCCCCC#C[C@@H](O)C(=O)O
InChIInChI=1S/C24H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)24(26)27/h7-8,23,25H,2-6,9-20H2,1H3,(H,26,27)/b8-7-/t23-/m1/s1
InChIKeyJAHNZBCDKPZQAS-XBKFQHLESA-N
MW378.60 g/mol
LogP6.64
Rot. Bonds18

About (Z,2R)-2-hydroxytetracos-17-en-3-ynoic acid

(Z,2R)-2-hydroxytetracos-17-en-3-ynoic acid (PubChem CID 44566798) has the molecular formula C24H42O3 and a molecular weight of 378.60 g/mol. Its IUPAC name is (Z,2R)-2-hydroxytetracos-17-en-3-ynoic acid.

Molecular Properties

Compound Name(Z,2R)-2-hydroxytetracos-17-en-3-ynoic acid
PubChem CID44566798
Molecular FormulaC24H42O3
Molecular Weight378.60 g/mol
Exact Mass378.31
IUPAC Name(Z,2R)-2-hydroxytetracos-17-en-3-ynoic acid
SMILESCCCCCC/C=C\CCCCCCCCCCCCC#C[C@@H](O)C(=O)O
InChIInChI=1S/C24H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)24(26)27/h7-8,23,25H,2-6,9-20H2,1H3,(H,26,27)/b8-7-/t23-/m1/s1
InChIKeyJAHNZBCDKPZQAS-XBKFQHLESA-N
XLogP6.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 56.64
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,2R)-2-hydroxytetracos-17-en-3-ynoic acid?
The IUPAC name of (Z,2R)-2-hydroxytetracos-17-en-3-ynoic acid (CID 44566798) is (Z,2R)-2-hydroxytetracos-17-en-3-ynoic acid.
What is the SMILES notation for (Z,2R)-2-hydroxytetracos-17-en-3-ynoic acid?
The canonical SMILES for (Z,2R)-2-hydroxytetracos-17-en-3-ynoic acid is CCCCCC/C=C\CCCCCCCCCCCCC#C[C@@H](O)C(=O)O.
What is the InChIKey of (Z,2R)-2-hydroxytetracos-17-en-3-ynoic acid?
The InChIKey is JAHNZBCDKPZQAS-XBKFQHLESA-N. The full InChI is InChI=1S/C24H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)24(26)27/h7-8,23,25H,2-6,9-20H2,1H3,(H,26,27)/b8-7-/t23-/m1/s1.
What are the key properties of (Z,2R)-2-hydroxytetracos-17-en-3-ynoic acid?
(Z,2R)-2-hydroxytetracos-17-en-3-ynoic acid has a molecular weight of 378.60 g/mol, XLogP of 6.64, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-2-hydroxytetracos-17-en-3-ynoic acid is sourced from PubChem (CID 44566798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).