2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol

C14H28O6 — CID 548230

IUPAC2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
SMILESCCCCCCCCOC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3
InChIKeyHEGSGKPQLMEBJL-UHFFFAOYSA-N
MW292.37 g/mol
LogP0.16
Rot. Bonds9

About 2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol

2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol (PubChem CID 548230) has the molecular formula C14H28O6 and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
PubChem CID548230
Molecular FormulaC14H28O6
Molecular Weight292.37 g/mol
Exact Mass292.19
IUPAC Name2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
SMILESCCCCCCCCOC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3
InChIKeyHEGSGKPQLMEBJL-UHFFFAOYSA-N
XLogP0.16
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol (CID 548230) is 2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol is CCCCCCCCOC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol?
The InChIKey is HEGSGKPQLMEBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3.
What are the key properties of 2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol?
2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol has a molecular weight of 292.37 g/mol, XLogP of 0.16, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol is sourced from PubChem (CID 548230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).