5-hydroxy-2-octylundecanoic acid

C19H38O3 — CID 57125761

IUPAC5-hydroxy-2-octylundecanoic acid
SMILESCCCCCCCCC(CCC(O)CCCCCC)C(=O)O
InChIInChI=1S/C19H38O3/c1-3-5-7-9-10-11-13-17(19(21)22)15-16-18(20)14-12-8-6-4-2/h17-18,20H,3-16H2,1-2H3,(H,21,22)
InChIKeyCWXKCCHLXZRPIO-UHFFFAOYSA-N
MW314.51 g/mol
LogP5.55
Rot. Bonds16

About 5-hydroxy-2-octylundecanoic acid

5-hydroxy-2-octylundecanoic acid (PubChem CID 57125761) has the molecular formula C19H38O3 and a molecular weight of 314.51 g/mol. Its IUPAC name is 5-hydroxy-2-octylundecanoic acid.

Molecular Properties

Compound Name5-hydroxy-2-octylundecanoic acid
PubChem CID57125761
Molecular FormulaC19H38O3
Molecular Weight314.51 g/mol
Exact Mass314.28
IUPAC Name5-hydroxy-2-octylundecanoic acid
SMILESCCCCCCCCC(CCC(O)CCCCCC)C(=O)O
InChIInChI=1S/C19H38O3/c1-3-5-7-9-10-11-13-17(19(21)22)15-16-18(20)14-12-8-6-4-2/h17-18,20H,3-16H2,1-2H3,(H,21,22)
InChIKeyCWXKCCHLXZRPIO-UHFFFAOYSA-N
XLogP5.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 55.55
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

2-dodecyl-14-hydroxyicosanoic acid
CID 87612369
2-(10-hydroxyhexadecyl)hexacosanoic acid
CID 87612746
2,6-bis(10-hydroxyhexadecyl)-3-methylheptanedioic acid
CID 175957333
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
2-hexylpentacosanoic acid
CID 158257677
2-nonylpentadecanoic acid
CID 139605044
2-dodecyloctacosanoic acid
CID 90897371
2-dodecyldotriacontanoic acid
CID 90853745
2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid
CID 173164625

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-octylundecanoic acid?
The IUPAC name of 5-hydroxy-2-octylundecanoic acid (CID 57125761) is 5-hydroxy-2-octylundecanoic acid.
What is the SMILES notation for 5-hydroxy-2-octylundecanoic acid?
The canonical SMILES for 5-hydroxy-2-octylundecanoic acid is CCCCCCCCC(CCC(O)CCCCCC)C(=O)O.
What is the InChIKey of 5-hydroxy-2-octylundecanoic acid?
The InChIKey is CWXKCCHLXZRPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3/c1-3-5-7-9-10-11-13-17(19(21)22)15-16-18(20)14-12-8-6-4-2/h17-18,20H,3-16H2,1-2H3,(H,21,22).
What are the key properties of 5-hydroxy-2-octylundecanoic acid?
5-hydroxy-2-octylundecanoic acid has a molecular weight of 314.51 g/mol, XLogP of 5.55, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-octylundecanoic acid is sourced from PubChem (CID 57125761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).