4,12-dihydroxydodecanoic acid

C12H24O4 — CID 90020174

IUPAC4,12-dihydroxydodecanoic acid
SMILESO=C(O)CCC(O)CCCCCCCCO
InChIInChI=1S/C12H24O4/c13-10-6-4-2-1-3-5-7-11(14)8-9-12(15)16/h11,13-14H,1-10H2,(H,15,16)
InChIKeyYBWROJROTUDFAX-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.94
Rot. Bonds11

About 4,12-dihydroxydodecanoic acid

4,12-dihydroxydodecanoic acid (PubChem CID 90020174) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4,12-dihydroxydodecanoic acid.

Molecular Properties

Compound Name4,12-dihydroxydodecanoic acid
PubChem CID90020174
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name4,12-dihydroxydodecanoic acid
SMILESO=C(O)CCC(O)CCCCCCCCO
InChIInChI=1S/C12H24O4/c13-10-6-4-2-1-3-5-7-11(14)8-9-12(15)16/h11,13-14H,1-10H2,(H,15,16)
InChIKeyYBWROJROTUDFAX-UHFFFAOYSA-N
XLogP1.94
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(9S)-9,18-dihydroxyoctadecanoic acid
CID 163000133
4-hydroxyhexadecanoic acid
CID 5282904
(4S,12S)-4,12-dihydroxypentadecanoic acid
CID 163083389
heptacosane-1,10,27-triol
CID 56980866
hexacosane-1,8,19,26-tetrol
CID 167004997
hexadecane-1,8,16-triol
CID 11403100
5-hydroxytridecanedioic acid
CID 139805426
(9R,10R)-9,10,16-trihydroxyhexadecanoic acid
CID 7060884
(9S,10S)-9,10,16-trihydroxyhexadecanoic acid
CID 7269318
tridecane-1,4,13-triol
CID 90439734
4,7,10-trihydroxytridecanedioic acid
CID 174508120
6-(6,12-dihydroxydodecanoyloxy)hexanoic acid
CID 87377073

Frequently Asked Questions

What is the IUPAC name of 4,12-dihydroxydodecanoic acid?
The IUPAC name of 4,12-dihydroxydodecanoic acid (CID 90020174) is 4,12-dihydroxydodecanoic acid.
What is the SMILES notation for 4,12-dihydroxydodecanoic acid?
The canonical SMILES for 4,12-dihydroxydodecanoic acid is O=C(O)CCC(O)CCCCCCCCO.
What is the InChIKey of 4,12-dihydroxydodecanoic acid?
The InChIKey is YBWROJROTUDFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c13-10-6-4-2-1-3-5-7-11(14)8-9-12(15)16/h11,13-14H,1-10H2,(H,15,16).
What are the key properties of 4,12-dihydroxydodecanoic acid?
4,12-dihydroxydodecanoic acid has a molecular weight of 232.32 g/mol, XLogP of 1.94, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,12-dihydroxydodecanoic acid is sourced from PubChem (CID 90020174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).