ethoxymethanol

C3H8O2 — CID 3014623

IUPACethoxymethanol
SMILESCCOCO
InChIInChI=1S/C3H8O2/c1-2-5-3-4/h4H,2-3H2,1H3
InChIKeyRRLWYLINGKISHN-UHFFFAOYSA-N
MW76.09 g/mol
LogP-0.03
Rot. Bonds2

About ethoxymethanol

ethoxymethanol (PubChem CID 3014623) has the molecular formula C3H8O2 and a molecular weight of 76.09 g/mol. Its IUPAC name is ethoxymethanol.

Molecular Properties

Compound Nameethoxymethanol
PubChem CID3014623
Molecular FormulaC3H8O2
Molecular Weight76.09 g/mol
Exact Mass76.05
IUPAC Nameethoxymethanol
SMILESCCOCO
InChIInChI=1S/C3H8O2/c1-2-5-3-4/h4H,2-3H2,1H3
InChIKeyRRLWYLINGKISHN-UHFFFAOYSA-N
XLogP-0.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.09
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-Butoxy methanol
CID 76516
1-Methoxyethanol
CID 3015637
1-Ethoxyethanol
CID 10129898
Orthoameisensaureathylester
CID 5231668
Oxyathylather
CID 17899871
Orthokohlensaureathylather
CID 17910730
(2-Methoxyethoxy)methanol
CID 18720532
Ethoxymethoxymethanol
CID 19047955
Ethoxyethanol water
CID 19363080
1-(Hydroxymethoxy)ethanol
CID 57097493
Ethoxymethaneperoxol
CID 71351441
1-(Dihydroxymethoxy)ethane-1,1-diol
CID 91359884

Frequently Asked Questions

What is the IUPAC name of ethoxymethanol?
The IUPAC name of ethoxymethanol (CID 3014623) is ethoxymethanol.
What is the SMILES notation for ethoxymethanol?
The canonical SMILES for ethoxymethanol is CCOCO.
What is the InChIKey of ethoxymethanol?
The InChIKey is RRLWYLINGKISHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2/c1-2-5-3-4/h4H,2-3H2,1H3.
What are the key properties of ethoxymethanol?
ethoxymethanol has a molecular weight of 76.09 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethanol is sourced from PubChem (CID 3014623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).