3,22-dihydroxy-2-methylidenedocosanoic acid

C23H44O4 — CID 155224872

IUPAC3,22-dihydroxy-2-methylidenedocosanoic acid
SMILESC=C(C(=O)O)C(O)CCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C23H44O4/c1-21(23(26)27)22(25)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-24/h22,24-25H,1-20H2,(H,26,27)
InChIKeyAWGJRFCBBDTFOW-UHFFFAOYSA-N
MW384.60 g/mol
LogP6.00
Rot. Bonds21

About 3,22-dihydroxy-2-methylidenedocosanoic acid

3,22-dihydroxy-2-methylidenedocosanoic acid (PubChem CID 155224872) has the molecular formula C23H44O4 and a molecular weight of 384.60 g/mol. Its IUPAC name is 3,22-dihydroxy-2-methylidenedocosanoic acid.

Molecular Properties

Compound Name3,22-dihydroxy-2-methylidenedocosanoic acid
PubChem CID155224872
Molecular FormulaC23H44O4
Molecular Weight384.60 g/mol
Exact Mass384.32
IUPAC Name3,22-dihydroxy-2-methylidenedocosanoic acid
SMILESC=C(C(=O)O)C(O)CCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C23H44O4/c1-21(23(26)27)22(25)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-24/h22,24-25H,1-20H2,(H,26,27)
InChIKeyAWGJRFCBBDTFOW-UHFFFAOYSA-N
XLogP6.00
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.60
LogP ≤ 56.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,22-dihydroxy-2-methylidenedocosanoic acid?
The IUPAC name of 3,22-dihydroxy-2-methylidenedocosanoic acid (CID 155224872) is 3,22-dihydroxy-2-methylidenedocosanoic acid.
What is the SMILES notation for 3,22-dihydroxy-2-methylidenedocosanoic acid?
The canonical SMILES for 3,22-dihydroxy-2-methylidenedocosanoic acid is C=C(C(=O)O)C(O)CCCCCCCCCCCCCCCCCCCO.
What is the InChIKey of 3,22-dihydroxy-2-methylidenedocosanoic acid?
The InChIKey is AWGJRFCBBDTFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O4/c1-21(23(26)27)22(25)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-24/h22,24-25H,1-20H2,(H,26,27).
What are the key properties of 3,22-dihydroxy-2-methylidenedocosanoic acid?
3,22-dihydroxy-2-methylidenedocosanoic acid has a molecular weight of 384.60 g/mol, XLogP of 6.00, 21 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,22-dihydroxy-2-methylidenedocosanoic acid is sourced from PubChem (CID 155224872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).