38-hydroxyoctatriacontanoic acid

C38H76O3 — CID 18981443

IUPAC38-hydroxyoctatriacontanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C38H76O3/c39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(40)41/h39H,1-37H2,(H,40,41)
InChIKeyFSKBGTKNKDQPPR-UHFFFAOYSA-N
MW581.02 g/mol
LogP13.11
Rot. Bonds37

About 38-hydroxyoctatriacontanoic acid

38-hydroxyoctatriacontanoic acid (PubChem CID 18981443) has the molecular formula C38H76O3 and a molecular weight of 581.02 g/mol. Its IUPAC name is 38-hydroxyoctatriacontanoic acid.

Molecular Properties

Compound Name38-hydroxyoctatriacontanoic acid
PubChem CID18981443
Molecular FormulaC38H76O3
Molecular Weight581.02 g/mol
Exact Mass580.58
IUPAC Name38-hydroxyoctatriacontanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C38H76O3/c39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(40)41/h39H,1-37H2,(H,40,41)
InChIKeyFSKBGTKNKDQPPR-UHFFFAOYSA-N
XLogP13.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds37
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.02
LogP ≤ 513.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-hydroxydecanoic acid
CID 138734563
31-hydroxyhentriacontanoic acid
CID 71339995
hexane-1,6-diol;tetradecanedioic acid
CID 158984327
butane-1,4-diol;hexanedioic acid;bis(hexane-1,6-diol)
CID 161164712
butanedioic acid;butane-1,4-diol;decanedioic acid
CID 175347429
12-hydroxydodecanoic acid;zinc
CID 88673734
CID 162333795
CID 162333795
ethane-1,2-diol;hexanedioic acid;hexane-1,6-diol
CID 174881937
5-hydroxypentanoic acid
CID 25945
ethane;6-hydroxyhexanoic acid
CID 87459132
15-hydroxy-6-oxopentadecanoic acid
CID 154126593
lithium;hydride;5-hydroxypentanoic acid
CID 173343870

Frequently Asked Questions

What is the IUPAC name of 38-hydroxyoctatriacontanoic acid?
The IUPAC name of 38-hydroxyoctatriacontanoic acid (CID 18981443) is 38-hydroxyoctatriacontanoic acid.
What is the SMILES notation for 38-hydroxyoctatriacontanoic acid?
The canonical SMILES for 38-hydroxyoctatriacontanoic acid is O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO.
What is the InChIKey of 38-hydroxyoctatriacontanoic acid?
The InChIKey is FSKBGTKNKDQPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H76O3/c39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(40)41/h39H,1-37H2,(H,40,41).
What are the key properties of 38-hydroxyoctatriacontanoic acid?
38-hydroxyoctatriacontanoic acid has a molecular weight of 581.02 g/mol, XLogP of 13.11, 37 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 38-hydroxyoctatriacontanoic acid is sourced from PubChem (CID 18981443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).