(Z)-11-hydroxy-9-oxodocos-10-enoic acid

C22H40O4 — CID 10044557

IUPAC(Z)-11-hydroxy-9-oxodocos-10-enoic acid
SMILESCCCCCCCCCCC/C(O)=C/C(=O)CCCCCCCC(=O)O
InChIInChI=1S/C22H40O4/c1-2-3-4-5-6-7-8-10-13-16-20(23)19-21(24)17-14-11-9-12-15-18-22(25)26/h19,23H,2-18H2,1H3,(H,25,26)/b20-19-
InChIKeyCWTKLBHSADXXLR-VXPUYCOJSA-N
MW368.56 g/mol
LogP6.73
Rot. Bonds19

About (Z)-11-hydroxy-9-oxodocos-10-enoic acid

(Z)-11-hydroxy-9-oxodocos-10-enoic acid (PubChem CID 10044557) has the molecular formula C22H40O4 and a molecular weight of 368.56 g/mol. Its IUPAC name is (Z)-11-hydroxy-9-oxodocos-10-enoic acid.

Molecular Properties

Compound Name(Z)-11-hydroxy-9-oxodocos-10-enoic acid
PubChem CID10044557
Molecular FormulaC22H40O4
Molecular Weight368.56 g/mol
Exact Mass368.29
IUPAC Name(Z)-11-hydroxy-9-oxodocos-10-enoic acid
SMILESCCCCCCCCCCC/C(O)=C/C(=O)CCCCCCCC(=O)O
InChIInChI=1S/C22H40O4/c1-2-3-4-5-6-7-8-10-13-16-20(23)19-21(24)17-14-11-9-12-15-18-22(25)26/h19,23H,2-18H2,1H3,(H,25,26)/b20-19-
InChIKeyCWTKLBHSADXXLR-VXPUYCOJSA-N
XLogP6.73
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-11-hydroxynonadec-10-en-9-one
CID 58983053
henicosane;tetracontanoic acid
CID 175935348
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
dodecanoic acid
CID 158187269
CID 131882435
CID 131882435

Frequently Asked Questions

What is the IUPAC name of (Z)-11-hydroxy-9-oxodocos-10-enoic acid?
The IUPAC name of (Z)-11-hydroxy-9-oxodocos-10-enoic acid (CID 10044557) is (Z)-11-hydroxy-9-oxodocos-10-enoic acid.
What is the SMILES notation for (Z)-11-hydroxy-9-oxodocos-10-enoic acid?
The canonical SMILES for (Z)-11-hydroxy-9-oxodocos-10-enoic acid is CCCCCCCCCCC/C(O)=C/C(=O)CCCCCCCC(=O)O.
What is the InChIKey of (Z)-11-hydroxy-9-oxodocos-10-enoic acid?
The InChIKey is CWTKLBHSADXXLR-VXPUYCOJSA-N. The full InChI is InChI=1S/C22H40O4/c1-2-3-4-5-6-7-8-10-13-16-20(23)19-21(24)17-14-11-9-12-15-18-22(25)26/h19,23H,2-18H2,1H3,(H,25,26)/b20-19-.
What are the key properties of (Z)-11-hydroxy-9-oxodocos-10-enoic acid?
(Z)-11-hydroxy-9-oxodocos-10-enoic acid has a molecular weight of 368.56 g/mol, XLogP of 6.73, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-11-hydroxy-9-oxodocos-10-enoic acid is sourced from PubChem (CID 10044557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).