(2R)-2-hydroxy-3-methylundecanoic acid

C12H24O3 — CID 175805023

IUPAC(2R)-2-hydroxy-3-methylundecanoic acid
SMILESCCCCCCCCC(C)[C@@H](O)C(=O)O
InChIInChI=1S/C12H24O3/c1-3-4-5-6-7-8-9-10(2)11(13)12(14)15/h10-11,13H,3-9H2,1-2H3,(H,14,15)/t10?,11-/m1/s1
InChIKeyFSAMPTDUPKISGM-RRKGBCIJSA-N
MW216.32 g/mol
LogP2.82
Rot. Bonds9

About (2R)-2-hydroxy-3-methylundecanoic acid

(2R)-2-hydroxy-3-methylundecanoic acid (PubChem CID 175805023) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2R)-2-hydroxy-3-methylundecanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-3-methylundecanoic acid
PubChem CID175805023
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name(2R)-2-hydroxy-3-methylundecanoic acid
SMILESCCCCCCCCC(C)[C@@H](O)C(=O)O
InChIInChI=1S/C12H24O3/c1-3-4-5-6-7-8-9-10(2)11(13)12(14)15/h10-11,13H,3-9H2,1-2H3,(H,14,15)/t10?,11-/m1/s1
InChIKeyFSAMPTDUPKISGM-RRKGBCIJSA-N
XLogP2.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.82
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-nonadecan-2-ylpropanedioic acid
CID 22179077
(2R,3R,4S)-3-hydroxy-2,4-dimethyldecanoic acid
CID 135016059
2,9,10-trimethyloctadecanoic acid
CID 14298664
(2S,3R)-3-amino-2-hydroxynonanoic acid
CID 87495768
2,3,4-trimethyldecanoic acid
CID 150709082
4-methylnon-1-ene-2,3-diol
CID 173461332
(2R)-2-hydroxydecanoic acid
CID 13144006
2-hydroxydecanoic acid
CID 161255514
heptane;2-methylheptadecanoic acid
CID 175511035
2-hydroxytridecanoic acid
CID 5282901
2-hydroxyoctadecanoic acid
CID 87724091
(2R,3R)-3-amino-2-hydroxyoctanoic acid
CID 10749769

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-3-methylundecanoic acid?
The IUPAC name of (2R)-2-hydroxy-3-methylundecanoic acid (CID 175805023) is (2R)-2-hydroxy-3-methylundecanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-3-methylundecanoic acid?
The canonical SMILES for (2R)-2-hydroxy-3-methylundecanoic acid is CCCCCCCCC(C)[C@@H](O)C(=O)O.
What is the InChIKey of (2R)-2-hydroxy-3-methylundecanoic acid?
The InChIKey is FSAMPTDUPKISGM-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H24O3/c1-3-4-5-6-7-8-9-10(2)11(13)12(14)15/h10-11,13H,3-9H2,1-2H3,(H,14,15)/t10?,11-/m1/s1.
What are the key properties of (2R)-2-hydroxy-3-methylundecanoic acid?
(2R)-2-hydroxy-3-methylundecanoic acid has a molecular weight of 216.32 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-3-methylundecanoic acid is sourced from PubChem (CID 175805023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).