2-(hydroxymethyl)-6-methoxyoxan-4-ol

C7H14O4 — CID 14831299

IUPAC2-(hydroxymethyl)-6-methoxyoxan-4-ol
SMILESCOC1CC(O)CC(CO)O1
InChIInChI=1S/C7H14O4/c1-10-7-3-5(9)2-6(4-8)11-7/h5-9H,2-4H2,1H3
InChIKeyKXNRAPQYUAQAFX-UHFFFAOYSA-N
MW162.18 g/mol
LogP-0.51
Rot. Bonds2

About 2-(hydroxymethyl)-6-methoxyoxan-4-ol

2-(hydroxymethyl)-6-methoxyoxan-4-ol (PubChem CID 14831299) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-methoxyoxan-4-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-methoxyoxan-4-ol
PubChem CID14831299
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name2-(hydroxymethyl)-6-methoxyoxan-4-ol
SMILESCOC1CC(O)CC(CO)O1
InChIInChI=1S/C7H14O4/c1-10-7-3-5(9)2-6(4-8)11-7/h5-9H,2-4H2,1H3
InChIKeyKXNRAPQYUAQAFX-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-(hydroxymethyl)-6-methoxyoxan-4-ol?
The IUPAC name of 2-(hydroxymethyl)-6-methoxyoxan-4-ol (CID 14831299) is 2-(hydroxymethyl)-6-methoxyoxan-4-ol.
What is the SMILES notation for 2-(hydroxymethyl)-6-methoxyoxan-4-ol?
The canonical SMILES for 2-(hydroxymethyl)-6-methoxyoxan-4-ol is COC1CC(O)CC(CO)O1.
What is the InChIKey of 2-(hydroxymethyl)-6-methoxyoxan-4-ol?
The InChIKey is KXNRAPQYUAQAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-10-7-3-5(9)2-6(4-8)11-7/h5-9H,2-4H2,1H3.
What are the key properties of 2-(hydroxymethyl)-6-methoxyoxan-4-ol?
2-(hydroxymethyl)-6-methoxyoxan-4-ol 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-(hydroxymethyl)-6-methoxyoxan-4-ol is sourced from PubChem (CID 14831299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).