6-(hydroxymethyl)oxane-3,4-diol;methanol

C7H16O5 — CID 144823198

IUPAC6-(hydroxymethyl)oxane-3,4-diol;methanol
SMILESCO.OCC1CC(O)C(O)CO1
InChIInChI=1S/C6H12O4.CH4O/c7-2-4-1-5(8)6(9)3-10-4;1-2/h4-9H,1-3H2;2H,1H3
InChIKeyPRZLCYMXTGMYPV-UHFFFAOYSA-N
MW180.20 g/mol
LogP-1.90
Rot. Bonds1

About 6-(hydroxymethyl)oxane-3,4-diol;methanol

6-(hydroxymethyl)oxane-3,4-diol;methanol (PubChem CID 144823198) has the molecular formula C7H16O5 and a molecular weight of 180.20 g/mol. Its IUPAC name is 6-(hydroxymethyl)oxane-3,4-diol;methanol.

Molecular Properties

Compound Name6-(hydroxymethyl)oxane-3,4-diol;methanol
PubChem CID144823198
Molecular FormulaC7H16O5
Molecular Weight180.20 g/mol
Exact Mass180.10
IUPAC Name6-(hydroxymethyl)oxane-3,4-diol;methanol
SMILESCO.OCC1CC(O)C(O)CO1
InChIInChI=1S/C6H12O4.CH4O/c7-2-4-1-5(8)6(9)3-10-4;1-2/h4-9H,1-3H2;2H,1H3
InChIKeyPRZLCYMXTGMYPV-UHFFFAOYSA-N
XLogP-1.90
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)oxane-3,4-diol;methanol?
The IUPAC name of 6-(hydroxymethyl)oxane-3,4-diol;methanol (CID 144823198) is 6-(hydroxymethyl)oxane-3,4-diol;methanol.
What is the SMILES notation for 6-(hydroxymethyl)oxane-3,4-diol;methanol?
The canonical SMILES for 6-(hydroxymethyl)oxane-3,4-diol;methanol is CO.OCC1CC(O)C(O)CO1.
What is the InChIKey of 6-(hydroxymethyl)oxane-3,4-diol;methanol?
The InChIKey is PRZLCYMXTGMYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4.CH4O/c7-2-4-1-5(8)6(9)3-10-4;1-2/h4-9H,1-3H2;2H,1H3.
What are the key properties of 6-(hydroxymethyl)oxane-3,4-diol;methanol?
6-(hydroxymethyl)oxane-3,4-diol;methanol has a molecular weight of 180.20 g/mol, XLogP of -1.90, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)oxane-3,4-diol;methanol is sourced from PubChem (CID 144823198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).