6-methoxyhexane-1,2,4,5-tetrol

C7H16O5 — CID 123365774

IUPAC6-methoxyhexane-1,2,4,5-tetrol
SMILESCOCC(O)C(O)CC(O)CO
InChIInChI=1S/C7H16O5/c1-12-4-7(11)6(10)2-5(9)3-8/h5-11H,2-4H2,1H3
InChIKeyHMTRLIWCJUCLMF-UHFFFAOYSA-N
MW180.20 g/mol
LogP-1.90
Rot. Bonds6

About 6-methoxyhexane-1,2,4,5-tetrol

6-methoxyhexane-1,2,4,5-tetrol (PubChem CID 123365774) has the molecular formula C7H16O5 and a molecular weight of 180.20 g/mol. Its IUPAC name is 6-methoxyhexane-1,2,4,5-tetrol.

Molecular Properties

Compound Name6-methoxyhexane-1,2,4,5-tetrol
PubChem CID123365774
Molecular FormulaC7H16O5
Molecular Weight180.20 g/mol
Exact Mass180.10
IUPAC Name6-methoxyhexane-1,2,4,5-tetrol
SMILESCOCC(O)C(O)CC(O)CO
InChIInChI=1S/C7H16O5/c1-12-4-7(11)6(10)2-5(9)3-8/h5-11H,2-4H2,1H3
InChIKeyHMTRLIWCJUCLMF-UHFFFAOYSA-N
XLogP-1.90
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxypropane-1,2-diol;dihydrochloride
CID 87908148
(2R,3R,5R)-hexane-1,2,3,5,6-pentol
CID 6451627
(2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol
CID 18653298
(2R,5S)-6-methoxyhexane-1,2,5-triol
CID 130342864
methane;methoxymethanol;3-methoxypropane-1,2-diol
CID 159796691
1,5-dimethoxypentane-2,4-diol
CID 88937884
acetic acid;3-methoxypropane-1,2-diol
CID 71422269
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1,2-diol
CID 88556608
[(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphate
CID 54421134
1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol
CID 162081767
4-aminopentane-1,2-diol
CID 12701364
1,1-diamino-3-methoxypropan-2-ol
CID 126732231

Frequently Asked Questions

What is the IUPAC name of 6-methoxyhexane-1,2,4,5-tetrol?
The IUPAC name of 6-methoxyhexane-1,2,4,5-tetrol (CID 123365774) is 6-methoxyhexane-1,2,4,5-tetrol.
What is the SMILES notation for 6-methoxyhexane-1,2,4,5-tetrol?
The canonical SMILES for 6-methoxyhexane-1,2,4,5-tetrol is COCC(O)C(O)CC(O)CO.
What is the InChIKey of 6-methoxyhexane-1,2,4,5-tetrol?
The InChIKey is HMTRLIWCJUCLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O5/c1-12-4-7(11)6(10)2-5(9)3-8/h5-11H,2-4H2,1H3.
What are the key properties of 6-methoxyhexane-1,2,4,5-tetrol?
6-methoxyhexane-1,2,4,5-tetrol has a molecular weight of 180.20 g/mol, XLogP of -1.90, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyhexane-1,2,4,5-tetrol is sourced from PubChem (CID 123365774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).