(2R,3R)-undecane-1,2,3-triol

C11H24O3 — CID 15641124

IUPAC(2R,3R)-undecane-1,2,3-triol
SMILESCCCCCCCC[C@@H](O)[C@H](O)CO
InChIInChI=1S/C11H24O3/c1-2-3-4-5-6-7-8-10(13)11(14)9-12/h10-14H,2-9H2,1H3/t10-,11-/m1/s1
InChIKeyLONLGEZTBVAKJF-GHMZBOCLSA-N
MW204.31 g/mol
LogP1.45
Rot. Bonds9

About (2R,3R)-undecane-1,2,3-triol

(2R,3R)-undecane-1,2,3-triol (PubChem CID 15641124) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is (2R,3R)-undecane-1,2,3-triol.

Molecular Properties

Compound Name(2R,3R)-undecane-1,2,3-triol
PubChem CID15641124
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name(2R,3R)-undecane-1,2,3-triol
SMILESCCCCCCCC[C@@H](O)[C@H](O)CO
InChIInChI=1S/C11H24O3/c1-2-3-4-5-6-7-8-10(13)11(14)9-12/h10-14H,2-9H2,1H3/t10-,11-/m1/s1
InChIKeyLONLGEZTBVAKJF-GHMZBOCLSA-N
XLogP1.45
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,3R)-undecane-1,2,3-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-decane-1,2,3-triol
CID 12619492
nonacosane-14,15-diol
CID 91509633
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
(2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol
CID 135030850
octanoic acid;tridecane-1,2,3-triol
CID 162007847
pentadecane-4,5-diol
CID 103454846
heptane-1,2,3-triol;propane-1,2,3-triol
CID 141381425
dodecane-1,2,4,5-tetrol
CID 175058574
2-methyldodecane-1,3-diol
CID 14736951
16-methylheptadecane-7,8-diol
CID 118508542
(2S,3S)-3-aminoheptadecane-1,2-diol
CID 10085469
3-propylnonane-1,2-diol
CID 142914720

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-undecane-1,2,3-triol?
The IUPAC name of (2R,3R)-undecane-1,2,3-triol (CID 15641124) is (2R,3R)-undecane-1,2,3-triol.
What is the SMILES notation for (2R,3R)-undecane-1,2,3-triol?
The canonical SMILES for (2R,3R)-undecane-1,2,3-triol is CCCCCCCC[C@@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R)-undecane-1,2,3-triol?
The InChIKey is LONLGEZTBVAKJF-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H24O3/c1-2-3-4-5-6-7-8-10(13)11(14)9-12/h10-14H,2-9H2,1H3/t10-,11-/m1/s1.
What are the key properties of (2R,3R)-undecane-1,2,3-triol?
(2R,3R)-undecane-1,2,3-triol has a molecular weight of 204.31 g/mol, XLogP of 1.45, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-undecane-1,2,3-triol is sourced from PubChem (CID 15641124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).