(10R,11R)-10,11-dihydroxydodecanoic acid

C12H24O4 — CID 91394357

IUPAC(10R,11R)-10,11-dihydroxydodecanoic acid
SMILESC[C@@H](O)[C@H](O)CCCCCCCCC(=O)O
InChIInChI=1S/C12H24O4/c1-10(13)11(14)8-6-4-2-3-5-7-9-12(15)16/h10-11,13-14H,2-9H2,1H3,(H,15,16)/t10-,11-/m1/s1
InChIKeyATNLPEDKQRCUDS-GHMZBOCLSA-N
MW232.32 g/mol
LogP1.93
Rot. Bonds10

About (10R,11R)-10,11-dihydroxydodecanoic acid

(10R,11R)-10,11-dihydroxydodecanoic acid (PubChem CID 91394357) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is (10R,11R)-10,11-dihydroxydodecanoic acid.

Molecular Properties

Compound Name(10R,11R)-10,11-dihydroxydodecanoic acid
PubChem CID91394357
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name(10R,11R)-10,11-dihydroxydodecanoic acid
SMILESC[C@@H](O)[C@H](O)CCCCCCCCC(=O)O
InChIInChI=1S/C12H24O4/c1-10(13)11(14)8-6-4-2-3-5-7-9-12(15)16/h10-11,13-14H,2-9H2,1H3,(H,15,16)/t10-,11-/m1/s1
InChIKeyATNLPEDKQRCUDS-GHMZBOCLSA-N
XLogP1.93
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.93
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

7,8-dihydroxyhexadecanedioic acid
CID 14556981
20-hydroxyhenicosanoic acid
CID 19591814
19-hydroxyicosanoic acid
CID 14535566
17,18,19-trihydroxypentatriacontanedioic acid
CID 22665136
(19R,20R)-19,20-dihydroxydocosanoic acid
CID 131704445
(7S,8S)-7,8-dihydroxytetradecanoic acid
CID 101332605
15-bromohexadecanoic acid
CID 22242436
16-methylheptadecanoic acid
CID 87200881
19-methylheptatriacontanedioic acid
CID 141009772
(9S,10S)-9,10,16-trihydroxyhexadecanoic acid
CID 7269318
(9R,10R)-9,10,16-trihydroxyhexadecanoic acid
CID 7060884
19,20,21-trihydroxyhenicosanoic acid
CID 54189389

Frequently Asked Questions

What is the IUPAC name of (10R,11R)-10,11-dihydroxydodecanoic acid?
The IUPAC name of (10R,11R)-10,11-dihydroxydodecanoic acid (CID 91394357) is (10R,11R)-10,11-dihydroxydodecanoic acid.
What is the SMILES notation for (10R,11R)-10,11-dihydroxydodecanoic acid?
The canonical SMILES for (10R,11R)-10,11-dihydroxydodecanoic acid is C[C@@H](O)[C@H](O)CCCCCCCCC(=O)O.
What is the InChIKey of (10R,11R)-10,11-dihydroxydodecanoic acid?
The InChIKey is ATNLPEDKQRCUDS-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H24O4/c1-10(13)11(14)8-6-4-2-3-5-7-9-12(15)16/h10-11,13-14H,2-9H2,1H3,(H,15,16)/t10-,11-/m1/s1.
What are the key properties of (10R,11R)-10,11-dihydroxydodecanoic acid?
(10R,11R)-10,11-dihydroxydodecanoic acid has a molecular weight of 232.32 g/mol, XLogP of 1.93, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,11R)-10,11-dihydroxydodecanoic acid is sourced from PubChem (CID 91394357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).