2-hydroxydocosanoate

C22H43O3- — CID 22361325

IUPAC2-hydroxydocosanoate
SMILESCCCCCCCCCCCCCCCCCCCCC(O)C(=O)[O-]
InChIInChI=1S/C22H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22(24)25/h21,23H,2-20H2,1H3,(H,24,25)/p-1
InChIKeyRPGJJWLCCOPDAZ-UHFFFAOYSA-M
MW355.58 g/mol
LogP5.53
Rot. Bonds20

About 2-hydroxydocosanoate

2-hydroxydocosanoate (PubChem CID 22361325) has the molecular formula C22H43O3- and a molecular weight of 355.58 g/mol. Its IUPAC name is 2-hydroxydocosanoate.

Molecular Properties

Compound Name2-hydroxydocosanoate
PubChem CID22361325
Molecular FormulaC22H43O3-
Molecular Weight355.58 g/mol
Exact Mass355.32
IUPAC Name2-hydroxydocosanoate
SMILESCCCCCCCCCCCCCCCCCCCCC(O)C(=O)[O-]
InChIInChI=1S/C22H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22(24)25/h21,23H,2-20H2,1H3,(H,24,25)/p-1
InChIKeyRPGJJWLCCOPDAZ-UHFFFAOYSA-M
XLogP5.53
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.58
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hydroxyoctadecanoate
CID 21145041
azanium 2-hydroxydodecanoate
CID 139935066
zinc bis(2-hydroxyhexadecanoate)
CID 159204851
strontium bis(2-hydroxytetradecanoate)
CID 19990057
(2R)-2-hydroxyheptanoate
CID 7054559
bis(butan-1-olate);bis(2-hydroxydecanoate);titanium(4+)
CID 173116616
magnesium bis(2-hydroxyhexanoate)
CID 139844837
sodium (Z)-2-hydroxyicos-11-enoate
CID 141048065
(12Z,15Z,18Z,21Z,24Z)-2-hydroxytriaconta-12,15,18,21,24-pentaenoate
CID 86583452
sodium 5-heptyl-2-hydroxy-4-oxotetradecanoate
CID 88635824
2-hydroxydecanoic acid
CID 161255514
2-hydroxytridecanoic acid
CID 5282901

Frequently Asked Questions

What is the IUPAC name of 2-hydroxydocosanoate?
The IUPAC name of 2-hydroxydocosanoate (CID 22361325) is 2-hydroxydocosanoate.
What is the SMILES notation for 2-hydroxydocosanoate?
The canonical SMILES for 2-hydroxydocosanoate is CCCCCCCCCCCCCCCCCCCCC(O)C(=O)[O-].
What is the InChIKey of 2-hydroxydocosanoate?
The InChIKey is RPGJJWLCCOPDAZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22(24)25/h21,23H,2-20H2,1H3,(H,24,25)/p-1.
What are the key properties of 2-hydroxydocosanoate?
2-hydroxydocosanoate has a molecular weight of 355.58 g/mol, XLogP of 5.53, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxydocosanoate is sourced from PubChem (CID 22361325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).