trimethoxymethanol

C4H10O4 — CID 22386239

IUPACtrimethoxymethanol
SMILESCOC(O)(OC)OC
InChIInChI=1S/C4H10O4/c1-6-4(5,7-2)8-3/h5H,1-3H3
InChIKeyYJECKCFXZTWHPU-UHFFFAOYSA-N
MW122.12 g/mol
LogP-0.47
Rot. Bonds3

About trimethoxymethanol

trimethoxymethanol (PubChem CID 22386239) has the molecular formula C4H10O4 and a molecular weight of 122.12 g/mol. Its IUPAC name is trimethoxymethanol.

Molecular Properties

Compound Nametrimethoxymethanol
PubChem CID22386239
Molecular FormulaC4H10O4
Molecular Weight122.12 g/mol
Exact Mass122.06
IUPAC Nametrimethoxymethanol
SMILESCOC(O)(OC)OC
InChIInChI=1S/C4H10O4/c1-6-4(5,7-2)8-3/h5H,1-3H3
InChIKeyYJECKCFXZTWHPU-UHFFFAOYSA-N
XLogP-0.47
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 5-0.47
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 trimethoxymethanol?
The IUPAC name of trimethoxymethanol (CID 22386239) is trimethoxymethanol.
What is the SMILES notation for trimethoxymethanol?
The canonical SMILES for trimethoxymethanol is COC(O)(OC)OC.
What is the InChIKey of trimethoxymethanol?
The InChIKey is YJECKCFXZTWHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4/c1-6-4(5,7-2)8-3/h5H,1-3H3.
What are the key properties of trimethoxymethanol?
trimethoxymethanol has a molecular weight of 122.12 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxymethanol is sourced from PubChem (CID 22386239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).