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

C8H18O7 — CID 86156615

IUPAC5-(2-hydroxyethoxy)hexane-1,2,3,4,6-pentol
SMILESOCCOC(CO)C(O)C(O)C(O)CO
InChIInChI=1S/C8H18O7/c9-1-2-15-6(4-11)8(14)7(13)5(12)3-10/h5-14H,1-4H2
InChIKeyYUKJDFFNEWCEJE-UHFFFAOYSA-N
MW226.22 g/mol
LogP-3.57
Rot. Bonds8

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

5-(2-hydroxyethoxy)hexane-1,2,3,4,6-pentol (PubChem CID 86156615) has the molecular formula C8H18O7 and a molecular weight of 226.22 g/mol. Its IUPAC name is 5-(2-hydroxyethoxy)hexane-1,2,3,4,6-pentol.

Molecular Properties

Compound Name5-(2-hydroxyethoxy)hexane-1,2,3,4,6-pentol
PubChem CID86156615
Molecular FormulaC8H18O7
Molecular Weight226.22 g/mol
Exact Mass226.11
IUPAC Name5-(2-hydroxyethoxy)hexane-1,2,3,4,6-pentol
SMILESOCCOC(CO)C(O)C(O)C(O)CO
InChIInChI=1S/C8H18O7/c9-1-2-15-6(4-11)8(14)7(13)5(12)3-10/h5-14H,1-4H2
InChIKeyYUKJDFFNEWCEJE-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

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

1,5,6-tris(2-hydroxyethoxy)hexane-2,3,4-triol
CID 20813425
bis(cyclohexane-1,2,3,4,5,6-hexol);hexane-1,2,3,4,5,6-hexol
CID 159403758
3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butane-1,2,4-triol
CID 22358954
(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
6-(2-hydroxyethoxy)hexane-1,2,3,4,5-pentol
CID 22287921
CID 158428296
CID 158428296
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
CID 87266813
CID 87266813
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethoxy)hexane-1,2,3,4,6-pentol?
The IUPAC name of 5-(2-hydroxyethoxy)hexane-1,2,3,4,6-pentol (CID 86156615) is 5-(2-hydroxyethoxy)hexane-1,2,3,4,6-pentol.
What is the SMILES notation for 5-(2-hydroxyethoxy)hexane-1,2,3,4,6-pentol?
The canonical SMILES for 5-(2-hydroxyethoxy)hexane-1,2,3,4,6-pentol is OCCOC(CO)C(O)C(O)C(O)CO.
What is the InChIKey of 5-(2-hydroxyethoxy)hexane-1,2,3,4,6-pentol?
The InChIKey is YUKJDFFNEWCEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O7/c9-1-2-15-6(4-11)8(14)7(13)5(12)3-10/h5-14H,1-4H2.
What are the key properties of 5-(2-hydroxyethoxy)hexane-1,2,3,4,6-pentol?
5-(2-hydroxyethoxy)hexane-1,2,3,4,6-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 5-(2-hydroxyethoxy)hexane-1,2,3,4,6-pentol is sourced from PubChem (CID 86156615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).