1-methoxyethoxymethanol

C4H10O3 — CID 19047944

IUPAC1-methoxyethoxymethanol
SMILESCOC(C)OCO
InChIInChI=1S/C4H10O3/c1-4(6-2)7-3-5/h4-5H,3H2,1-2H3
InChIKeyDAKCRYBZFCXJPG-UHFFFAOYSA-N
MW106.12 g/mol
LogP-0.05
Rot. Bonds3

About 1-methoxyethoxymethanol

1-methoxyethoxymethanol (PubChem CID 19047944) has the molecular formula C4H10O3 and a molecular weight of 106.12 g/mol. Its IUPAC name is 1-methoxyethoxymethanol.

Molecular Properties

Compound Name1-methoxyethoxymethanol
PubChem CID19047944
Molecular FormulaC4H10O3
Molecular Weight106.12 g/mol
Exact Mass106.06
IUPAC Name1-methoxyethoxymethanol
SMILESCOC(C)OCO
InChIInChI=1S/C4H10O3/c1-4(6-2)7-3-5/h4-5H,3H2,1-2H3
InChIKeyDAKCRYBZFCXJPG-UHFFFAOYSA-N
XLogP-0.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-methoxyethoxymethanol?
The IUPAC name of 1-methoxyethoxymethanol (CID 19047944) is 1-methoxyethoxymethanol.
What is the SMILES notation for 1-methoxyethoxymethanol?
The canonical SMILES for 1-methoxyethoxymethanol is COC(C)OCO.
What is the InChIKey of 1-methoxyethoxymethanol?
The InChIKey is DAKCRYBZFCXJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3/c1-4(6-2)7-3-5/h4-5H,3H2,1-2H3.
What are the key properties of 1-methoxyethoxymethanol?
1-methoxyethoxymethanol has a molecular weight of 106.12 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethoxymethanol is sourced from PubChem (CID 19047944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).