2-(methoxymethyl)oxane-2,4-diol

C7H14O4 — CID 176878463

IUPAC2-(methoxymethyl)oxane-2,4-diol
SMILESCOCC1(O)CC(O)CCO1
InChIInChI=1S/C7H14O4/c1-10-5-7(9)4-6(8)2-3-11-7/h6,8-9H,2-5H2,1H3
InChIKeyOHTCAUCBYMRQLU-UHFFFAOYSA-N
MW162.18 g/mol
LogP-0.51
Rot. Bonds2

About 2-(methoxymethyl)oxane-2,4-diol

2-(methoxymethyl)oxane-2,4-diol (PubChem CID 176878463) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 2-(methoxymethyl)oxane-2,4-diol.

Molecular Properties

Compound Name2-(methoxymethyl)oxane-2,4-diol
PubChem CID176878463
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name2-(methoxymethyl)oxane-2,4-diol
SMILESCOCC1(O)CC(O)CCO1
InChIInChI=1S/C7H14O4/c1-10-5-7(9)4-6(8)2-3-11-7/h6,8-9H,2-5H2,1H3
InChIKeyOHTCAUCBYMRQLU-UHFFFAOYSA-N
XLogP-0.51
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)oxane-2,4-diol?
The IUPAC name of 2-(methoxymethyl)oxane-2,4-diol (CID 176878463) is 2-(methoxymethyl)oxane-2,4-diol.
What is the SMILES notation for 2-(methoxymethyl)oxane-2,4-diol?
The canonical SMILES for 2-(methoxymethyl)oxane-2,4-diol is COCC1(O)CC(O)CCO1.
What is the InChIKey of 2-(methoxymethyl)oxane-2,4-diol?
The InChIKey is OHTCAUCBYMRQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-10-5-7(9)4-6(8)2-3-11-7/h6,8-9H,2-5H2,1H3.
What are the key properties of 2-(methoxymethyl)oxane-2,4-diol?
2-(methoxymethyl)oxane-2,4-diol has a molecular weight of 162.18 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)oxane-2,4-diol is sourced from PubChem (CID 176878463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).