6-(2-hydroxyethoxy)hexane-1,2,3,4,5-pentol

C8H18O7 — CID 22287921

IUPAC6-(2-hydroxyethoxy)hexane-1,2,3,4,5-pentol
SMILESOCCOCC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C8H18O7/c9-1-2-15-4-6(12)8(14)7(13)5(11)3-10/h5-14H,1-4H2
InChIKeyXVGMUUXDFMGIMI-UHFFFAOYSA-N
MW226.22 g/mol
LogP-3.57
Rot. Bonds8

About 6-(2-hydroxyethoxy)hexane-1,2,3,4,5-pentol

6-(2-hydroxyethoxy)hexane-1,2,3,4,5-pentol (PubChem CID 22287921) has the molecular formula C8H18O7 and a molecular weight of 226.22 g/mol. Its IUPAC name is 6-(2-hydroxyethoxy)hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-(2-hydroxyethoxy)hexane-1,2,3,4,5-pentol
PubChem CID22287921
Molecular FormulaC8H18O7
Molecular Weight226.22 g/mol
Exact Mass226.11
IUPAC Name6-(2-hydroxyethoxy)hexane-1,2,3,4,5-pentol
SMILESOCCOCC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C8H18O7/c9-1-2-15-4-6(12)8(14)7(13)5(11)3-10/h5-14H,1-4H2
InChIKeyXVGMUUXDFMGIMI-UHFFFAOYSA-N
XLogP-3.57
TPSA130.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.22
LogP ≤ 5-3.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-[16-(2,3,4,5,6-pentahydroxyhexoxy)hexadecoxy]hexane-1,2,3,4,5-pentol
CID 550069
1,5,6-tris(2-hydroxyethoxy)hexane-2,3,4-triol
CID 20813425
3-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]propanenitrile
CID 20747913
(2R,3R,4R,5S)-6-(11-sulfanylundecoxy)hexane-1,2,3,4,5-pentol
CID 101466075
(2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol
CID 18653298
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
2-hydroxy-3-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]propanoic acid
CID 57194035
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;phosphorous acid
CID 175778006
[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]methylphosphonic acid
CID 88598237
5-(2-hydroxyethoxy)hexane-1,2,3,4,6-pentol
CID 86156615

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethoxy)hexane-1,2,3,4,5-pentol?
The IUPAC name of 6-(2-hydroxyethoxy)hexane-1,2,3,4,5-pentol (CID 22287921) is 6-(2-hydroxyethoxy)hexane-1,2,3,4,5-pentol.
What is the SMILES notation for 6-(2-hydroxyethoxy)hexane-1,2,3,4,5-pentol?
The canonical SMILES for 6-(2-hydroxyethoxy)hexane-1,2,3,4,5-pentol is OCCOCC(O)C(O)C(O)C(O)CO.
What is the InChIKey of 6-(2-hydroxyethoxy)hexane-1,2,3,4,5-pentol?
The InChIKey is XVGMUUXDFMGIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O7/c9-1-2-15-4-6(12)8(14)7(13)5(11)3-10/h5-14H,1-4H2.
What are the key properties of 6-(2-hydroxyethoxy)hexane-1,2,3,4,5-pentol?
6-(2-hydroxyethoxy)hexane-1,2,3,4,5-pentol has a molecular weight of 226.22 g/mol, XLogP of -3.57, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethoxy)hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 22287921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).