(2R)-2-dodecyl-2-hydroxytricosanoic acid

C35H70O3 — CID 163058779

IUPAC(2R)-2-dodecyl-2-hydroxytricosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCC[C@](O)(CCCCCCCCCCCC)C(=O)O
InChIInChI=1S/C35H70O3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35(38,34(36)37)32-30-28-26-24-14-12-10-8-6-4-2/h38H,3-33H2,1-2H3,(H,36,37)/t35-/m1/s1
InChIKeyGITOWZQXEDAYIA-PGUFJCEWSA-N
MW538.94 g/mol
LogP11.94
Rot. Bonds32

About (2R)-2-dodecyl-2-hydroxytricosanoic acid

(2R)-2-dodecyl-2-hydroxytricosanoic acid (PubChem CID 163058779) has the molecular formula C35H70O3 and a molecular weight of 538.94 g/mol. Its IUPAC name is (2R)-2-dodecyl-2-hydroxytricosanoic acid.

Molecular Properties

Compound Name(2R)-2-dodecyl-2-hydroxytricosanoic acid
PubChem CID163058779
Molecular FormulaC35H70O3
Molecular Weight538.94 g/mol
Exact Mass538.53
IUPAC Name(2R)-2-dodecyl-2-hydroxytricosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCC[C@](O)(CCCCCCCCCCCC)C(=O)O
InChIInChI=1S/C35H70O3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35(38,34(36)37)32-30-28-26-24-14-12-10-8-6-4-2/h38H,3-33H2,1-2H3,(H,36,37)/t35-/m1/s1
InChIKeyGITOWZQXEDAYIA-PGUFJCEWSA-N
XLogP11.94
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds32
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.94
LogP ≤ 511.94
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

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CID 18462834
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CID 18462857
2-ethyl-2-hydroxyoctadecanoic acid
CID 23182335
2-hydroxy-2-icosylbutanedioic acid
CID 18762279
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
2-ethyl-2-hydroxyhexanoic acid
CID 20700530
2,3-dihexyl-2,3-dihydroxybutanedioic acid
CID 18506288
2,3-dihydroxy-2,3-dioctadecylbutanedioic acid
CID 87193003
2,2-dihydroxyoctadecanoic acid;zinc
CID 159899986
2-hexyl-2-hydroxyoctanethioic S-acid
CID 88618272
octadecane-1,1,1-tricarboxylic acid
CID 57231234

Frequently Asked Questions

What is the IUPAC name of (2R)-2-dodecyl-2-hydroxytricosanoic acid?
The IUPAC name of (2R)-2-dodecyl-2-hydroxytricosanoic acid (CID 163058779) is (2R)-2-dodecyl-2-hydroxytricosanoic acid.
What is the SMILES notation for (2R)-2-dodecyl-2-hydroxytricosanoic acid?
The canonical SMILES for (2R)-2-dodecyl-2-hydroxytricosanoic acid is CCCCCCCCCCCCCCCCCCCCC[C@](O)(CCCCCCCCCCCC)C(=O)O.
What is the InChIKey of (2R)-2-dodecyl-2-hydroxytricosanoic acid?
The InChIKey is GITOWZQXEDAYIA-PGUFJCEWSA-N. The full InChI is InChI=1S/C35H70O3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35(38,34(36)37)32-30-28-26-24-14-12-10-8-6-4-2/h38H,3-33H2,1-2H3,(H,36,37)/t35-/m1/s1.
What are the key properties of (2R)-2-dodecyl-2-hydroxytricosanoic acid?
(2R)-2-dodecyl-2-hydroxytricosanoic acid has a molecular weight of 538.94 g/mol, XLogP of 11.94, 32 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-dodecyl-2-hydroxytricosanoic acid is sourced from PubChem (CID 163058779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).