2-(hydroxymethyl)-4-methoxyoxane-3,5-diol

C7H14O5 — CID 19699733

IUPAC2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
SMILESCOC1C(O)COC(CO)C1O
InChIInChI=1S/C7H14O5/c1-11-7-4(9)3-12-5(2-8)6(7)10/h4-10H,2-3H2,1H3
InChIKeyGWYGLRYBQUSWAT-UHFFFAOYSA-N
MW178.18 g/mol
LogP-1.89
Rot. Bonds2

About 2-(hydroxymethyl)-4-methoxyoxane-3,5-diol

2-(hydroxymethyl)-4-methoxyoxane-3,5-diol (PubChem CID 19699733) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-methoxyoxane-3,5-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
PubChem CID19699733
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
SMILESCOC1C(O)COC(CO)C1O
InChIInChI=1S/C7H14O5/c1-11-7-4(9)3-12-5(2-8)6(7)10/h4-10H,2-3H2,1H3
InChIKeyGWYGLRYBQUSWAT-UHFFFAOYSA-N
XLogP-1.89
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-methoxyoxane-3,5-diol?
The IUPAC name of 2-(hydroxymethyl)-4-methoxyoxane-3,5-diol (CID 19699733) is 2-(hydroxymethyl)-4-methoxyoxane-3,5-diol.
What is the SMILES notation for 2-(hydroxymethyl)-4-methoxyoxane-3,5-diol?
The canonical SMILES for 2-(hydroxymethyl)-4-methoxyoxane-3,5-diol is COC1C(O)COC(CO)C1O.
What is the InChIKey of 2-(hydroxymethyl)-4-methoxyoxane-3,5-diol?
The InChIKey is GWYGLRYBQUSWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5/c1-11-7-4(9)3-12-5(2-8)6(7)10/h4-10H,2-3H2,1H3.
What are the key properties of 2-(hydroxymethyl)-4-methoxyoxane-3,5-diol?
2-(hydroxymethyl)-4-methoxyoxane-3,5-diol has a molecular weight of 178.18 g/mol, XLogP of -1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-methoxyoxane-3,5-diol is sourced from PubChem (CID 19699733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).