5-(dimethoxymethyl)cyclohexane-1,2,3,4-tetrol

C9H18O6 — CID 123252790

IUPAC5-(dimethoxymethyl)cyclohexane-1,2,3,4-tetrol
SMILESCOC(OC)C1CC(O)C(O)C(O)C1O
InChIInChI=1S/C9H18O6/c1-14-9(15-2)4-3-5(10)7(12)8(13)6(4)11/h4-13H,3H2,1-2H3
InChIKeyAVOAGTBUPCAALW-UHFFFAOYSA-N
MW222.24 g/mol
LogP-1.93
Rot. Bonds3

About 5-(dimethoxymethyl)cyclohexane-1,2,3,4-tetrol

5-(dimethoxymethyl)cyclohexane-1,2,3,4-tetrol (PubChem CID 123252790) has the molecular formula C9H18O6 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-(dimethoxymethyl)cyclohexane-1,2,3,4-tetrol.

Molecular Properties

Compound Name5-(dimethoxymethyl)cyclohexane-1,2,3,4-tetrol
PubChem CID123252790
Molecular FormulaC9H18O6
Molecular Weight222.24 g/mol
Exact Mass222.11
IUPAC Name5-(dimethoxymethyl)cyclohexane-1,2,3,4-tetrol
SMILESCOC(OC)C1CC(O)C(O)C(O)C1O
InChIInChI=1S/C9H18O6/c1-14-9(15-2)4-3-5(10)7(12)8(13)6(4)11/h4-13H,3H2,1-2H3
InChIKeyAVOAGTBUPCAALW-UHFFFAOYSA-N
XLogP-1.93
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-1.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethoxymethyl)cyclohexane-1,2,3,4-tetrol?
The IUPAC name of 5-(dimethoxymethyl)cyclohexane-1,2,3,4-tetrol (CID 123252790) is 5-(dimethoxymethyl)cyclohexane-1,2,3,4-tetrol.
What is the SMILES notation for 5-(dimethoxymethyl)cyclohexane-1,2,3,4-tetrol?
The canonical SMILES for 5-(dimethoxymethyl)cyclohexane-1,2,3,4-tetrol is COC(OC)C1CC(O)C(O)C(O)C1O.
What is the InChIKey of 5-(dimethoxymethyl)cyclohexane-1,2,3,4-tetrol?
The InChIKey is AVOAGTBUPCAALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O6/c1-14-9(15-2)4-3-5(10)7(12)8(13)6(4)11/h4-13H,3H2,1-2H3.
What are the key properties of 5-(dimethoxymethyl)cyclohexane-1,2,3,4-tetrol?
5-(dimethoxymethyl)cyclohexane-1,2,3,4-tetrol has a molecular weight of 222.24 g/mol, XLogP of -1.93, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethoxymethyl)cyclohexane-1,2,3,4-tetrol is sourced from PubChem (CID 123252790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).