3-(1,2-dihydroxyethyl)hexane-1,2,4,6-tetrol

C8H18O6 — CID 90970017

IUPAC3-(1,2-dihydroxyethyl)hexane-1,2,4,6-tetrol
SMILESOCCC(O)C(C(O)CO)C(O)CO
InChIInChI=1S/C8H18O6/c9-2-1-5(12)8(6(13)3-10)7(14)4-11/h5-14H,1-4H2
InChIKeyZGCLIBRCFJZGKL-UHFFFAOYSA-N
MW210.23 g/mol
LogP-2.95
Rot. Bonds7

About 3-(1,2-dihydroxyethyl)hexane-1,2,4,6-tetrol

3-(1,2-dihydroxyethyl)hexane-1,2,4,6-tetrol (PubChem CID 90970017) has the molecular formula C8H18O6 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(1,2-dihydroxyethyl)hexane-1,2,4,6-tetrol.

Molecular Properties

Compound Name3-(1,2-dihydroxyethyl)hexane-1,2,4,6-tetrol
PubChem CID90970017
Molecular FormulaC8H18O6
Molecular Weight210.23 g/mol
Exact Mass210.11
IUPAC Name3-(1,2-dihydroxyethyl)hexane-1,2,4,6-tetrol
SMILESOCCC(O)C(C(O)CO)C(O)CO
InChIInChI=1S/C8H18O6/c9-2-1-5(12)8(6(13)3-10)7(14)4-11/h5-14H,1-4H2
InChIKeyZGCLIBRCFJZGKL-UHFFFAOYSA-N
XLogP-2.95
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.23
LogP ≤ 5-2.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

heptane-1,2,3,4,5,7-hexol
CID 88922638
2-(hydroxymethyl)pentane-1,3,5-triol
CID 123357506
5-(1,2-dihydroxyethyl)nonane-1,4,6,8-tetrol
CID 90765548
lithium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydride
CID 173340002
(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
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
(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
pentane-1,2,3,4,5-pentol;dihydrochloride
CID 175842943
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dihydroxyethyl)hexane-1,2,4,6-tetrol?
The IUPAC name of 3-(1,2-dihydroxyethyl)hexane-1,2,4,6-tetrol (CID 90970017) is 3-(1,2-dihydroxyethyl)hexane-1,2,4,6-tetrol.
What is the SMILES notation for 3-(1,2-dihydroxyethyl)hexane-1,2,4,6-tetrol?
The canonical SMILES for 3-(1,2-dihydroxyethyl)hexane-1,2,4,6-tetrol is OCCC(O)C(C(O)CO)C(O)CO.
What is the InChIKey of 3-(1,2-dihydroxyethyl)hexane-1,2,4,6-tetrol?
The InChIKey is ZGCLIBRCFJZGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O6/c9-2-1-5(12)8(6(13)3-10)7(14)4-11/h5-14H,1-4H2.
What are the key properties of 3-(1,2-dihydroxyethyl)hexane-1,2,4,6-tetrol?
3-(1,2-dihydroxyethyl)hexane-1,2,4,6-tetrol has a molecular weight of 210.23 g/mol, XLogP of -2.95, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dihydroxyethyl)hexane-1,2,4,6-tetrol is sourced from PubChem (CID 90970017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).