(2S,6R)-2-(hydroxymethyl)-6-pentoxyoxan-4-ol

C11H22O4 — CID 146246874

IUPAC(2S,6R)-2-(hydroxymethyl)-6-pentoxyoxan-4-ol
SMILESCCCCCO[C@H]1CC(O)C[C@@H](CO)O1
InChIInChI=1S/C11H22O4/c1-2-3-4-5-14-11-7-9(13)6-10(8-12)15-11/h9-13H,2-8H2,1H3/t9?,10-,11+/m0/s1
InChIKeyWFOZTTGUUMFHIE-QXXIUIOUSA-N
MW218.29 g/mol
LogP1.05
Rot. Bonds6

About (2S,6R)-2-(hydroxymethyl)-6-pentoxyoxan-4-ol

(2S,6R)-2-(hydroxymethyl)-6-pentoxyoxan-4-ol (PubChem CID 146246874) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is (2S,6R)-2-(hydroxymethyl)-6-pentoxyoxan-4-ol.

Molecular Properties

Compound Name(2S,6R)-2-(hydroxymethyl)-6-pentoxyoxan-4-ol
PubChem CID146246874
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name(2S,6R)-2-(hydroxymethyl)-6-pentoxyoxan-4-ol
SMILESCCCCCO[C@H]1CC(O)C[C@@H](CO)O1
InChIInChI=1S/C11H22O4/c1-2-3-4-5-14-11-7-9(13)6-10(8-12)15-11/h9-13H,2-8H2,1H3/t9?,10-,11+/m0/s1
InChIKeyWFOZTTGUUMFHIE-QXXIUIOUSA-N
XLogP1.05
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,6R)-2-(hydroxymethyl)-6-pentoxyoxan-4-ol 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

2-(hydroxymethyl)-6-methoxyoxan-4-ol
CID 14831299
6-(hydroxymethyl)-2-pentoxyoxane-3,4-diol
CID 91600064
ethane;2-(hydroxymethyl)-6-pentoxyoxane-3,4-diol
CID 145127293
(2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol
CID 102481563
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-6-(hydroxymethyl)oxan-4-ol
CID 169106537
ethane;6-heptoxy-2-(hydroxymethyl)oxane-3,4-diol
CID 144627259
(4S,6S)-2-(2-dodecoxy-1-hydroxybutan-2-yl)-6-(hydroxymethyl)oxan-4-ol
CID 137470124
[(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol
CID 139910442
(2S)-2-methyl-6-tetradecoxyoxan-3-ol
CID 144591243
(2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)oxane-3,4-diol
CID 121434694
2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 123211378
(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tripentoxyoxan-2-ol
CID 173460105

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-(hydroxymethyl)-6-pentoxyoxan-4-ol?
The IUPAC name of (2S,6R)-2-(hydroxymethyl)-6-pentoxyoxan-4-ol (CID 146246874) is (2S,6R)-2-(hydroxymethyl)-6-pentoxyoxan-4-ol.
What is the SMILES notation for (2S,6R)-2-(hydroxymethyl)-6-pentoxyoxan-4-ol?
The canonical SMILES for (2S,6R)-2-(hydroxymethyl)-6-pentoxyoxan-4-ol is CCCCCO[C@H]1CC(O)C[C@@H](CO)O1.
What is the InChIKey of (2S,6R)-2-(hydroxymethyl)-6-pentoxyoxan-4-ol?
The InChIKey is WFOZTTGUUMFHIE-QXXIUIOUSA-N. The full InChI is InChI=1S/C11H22O4/c1-2-3-4-5-14-11-7-9(13)6-10(8-12)15-11/h9-13H,2-8H2,1H3/t9?,10-,11+/m0/s1.
What are the key properties of (2S,6R)-2-(hydroxymethyl)-6-pentoxyoxan-4-ol?
(2S,6R)-2-(hydroxymethyl)-6-pentoxyoxan-4-ol has a molecular weight of 218.29 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-(hydroxymethyl)-6-pentoxyoxan-4-ol is sourced from PubChem (CID 146246874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).