5-(hydroxymethyl)cyclohexane-1,2,4-triol

C7H14O4 — CID 148585059

IUPAC5-(hydroxymethyl)cyclohexane-1,2,4-triol
SMILESOCC1CC(O)C(O)CC1O
InChIInChI=1S/C7H14O4/c8-3-4-1-6(10)7(11)2-5(4)9/h4-11H,1-3H2
InChIKeyMZNIDZHTAXURGT-UHFFFAOYSA-N
MW162.18 g/mol
LogP-1.53
Rot. Bonds1

About 5-(hydroxymethyl)cyclohexane-1,2,4-triol

5-(hydroxymethyl)cyclohexane-1,2,4-triol (PubChem CID 148585059) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 5-(hydroxymethyl)cyclohexane-1,2,4-triol.

Molecular Properties

Compound Name5-(hydroxymethyl)cyclohexane-1,2,4-triol
PubChem CID148585059
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name5-(hydroxymethyl)cyclohexane-1,2,4-triol
SMILESOCC1CC(O)C(O)CC1O
InChIInChI=1S/C7H14O4/c8-3-4-1-6(10)7(11)2-5(4)9/h4-11H,1-3H2
InChIKeyMZNIDZHTAXURGT-UHFFFAOYSA-N
XLogP-1.53
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(hydroxymethyl)cyclopentane-1,3-diol
CID 57158544
cis-(1S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol
CID 134358361
CID 167680665
CID 167680665
(2R)-2-(hydroxymethyl)-4-(methylamino)cyclopentan-1-ol
CID 59891072
(1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol
CID 10855621
2-(hydroxymethyl)cyclohexane-1,4-diol
CID 130149312
(1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol
CID 10920662
[(2S)-2-(hydroxymethyl)cyclopropyl]methanol
CID 67842260
(1S,2S,4R)-4-cyclooctyl-2-(hydroxymethyl)cyclopentan-1-ol
CID 67518986
(1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 176819979
(1S,2S,3S,4S,5R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 11332802
trans-(1R,2R)-cyclopropane-1,2-diol
CID 59075452

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)cyclohexane-1,2,4-triol?
The IUPAC name of 5-(hydroxymethyl)cyclohexane-1,2,4-triol (CID 148585059) is 5-(hydroxymethyl)cyclohexane-1,2,4-triol.
What is the SMILES notation for 5-(hydroxymethyl)cyclohexane-1,2,4-triol?
The canonical SMILES for 5-(hydroxymethyl)cyclohexane-1,2,4-triol is OCC1CC(O)C(O)CC1O.
What is the InChIKey of 5-(hydroxymethyl)cyclohexane-1,2,4-triol?
The InChIKey is MZNIDZHTAXURGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c8-3-4-1-6(10)7(11)2-5(4)9/h4-11H,1-3H2.
What are the key properties of 5-(hydroxymethyl)cyclohexane-1,2,4-triol?
5-(hydroxymethyl)cyclohexane-1,2,4-triol has a molecular weight of 162.18 g/mol, XLogP of -1.53, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)cyclohexane-1,2,4-triol is sourced from PubChem (CID 148585059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).