6-(dimethoxymethyl)oxan-2-ol

C8H16O4 — CID 129130756

IUPAC6-(dimethoxymethyl)oxan-2-ol
SMILESCOC(OC)C1CCCC(O)O1
InChIInChI=1S/C8H16O4/c1-10-8(11-2)6-4-3-5-7(9)12-6/h6-9H,3-5H2,1-2H3
InChIKeyADQRDLMAOGOANG-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.49
Rot. Bonds3

About 6-(dimethoxymethyl)oxan-2-ol

6-(dimethoxymethyl)oxan-2-ol (PubChem CID 129130756) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 6-(dimethoxymethyl)oxan-2-ol.

Molecular Properties

Compound Name6-(dimethoxymethyl)oxan-2-ol
PubChem CID129130756
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name6-(dimethoxymethyl)oxan-2-ol
SMILESCOC(OC)C1CCCC(O)O1
InChIInChI=1S/C8H16O4/c1-10-8(11-2)6-4-3-5-7(9)12-6/h6-9H,3-5H2,1-2H3
InChIKeyADQRDLMAOGOANG-UHFFFAOYSA-N
XLogP0.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-(dimethoxymethyl)oxan-2-ol?
The IUPAC name of 6-(dimethoxymethyl)oxan-2-ol (CID 129130756) is 6-(dimethoxymethyl)oxan-2-ol.
What is the SMILES notation for 6-(dimethoxymethyl)oxan-2-ol?
The canonical SMILES for 6-(dimethoxymethyl)oxan-2-ol is COC(OC)C1CCCC(O)O1.
What is the InChIKey of 6-(dimethoxymethyl)oxan-2-ol?
The InChIKey is ADQRDLMAOGOANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-10-8(11-2)6-4-3-5-7(9)12-6/h6-9H,3-5H2,1-2H3.
What are the key properties of 6-(dimethoxymethyl)oxan-2-ol?
6-(dimethoxymethyl)oxan-2-ol has a molecular weight of 176.21 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethoxymethyl)oxan-2-ol is sourced from PubChem (CID 129130756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).