1-ethoxyethanol

C4H10O2 — CID 10129898

IUPAC1-ethoxyethanol
SMILESCCOC(C)O
InChIInChI=1S/C4H10O2/c1-3-6-4(2)5/h4-5H,3H2,1-2H3
InChIKeyCAFAOQIVXSSFSY-UHFFFAOYSA-N
MW90.12 g/mol
LogP0.36
Rot. Bonds2

About 1-ethoxyethanol

1-ethoxyethanol (PubChem CID 10129898) has the molecular formula C4H10O2 and a molecular weight of 90.12 g/mol. Its IUPAC name is 1-ethoxyethanol.

Molecular Properties

Compound Name1-ethoxyethanol
PubChem CID10129898
Molecular FormulaC4H10O2
Molecular Weight90.12 g/mol
Exact Mass90.07
IUPAC Name1-ethoxyethanol
SMILESCCOC(C)O
InChIInChI=1S/C4H10O2/c1-3-6-4(2)5/h4-5H,3H2,1-2H3
InChIKeyCAFAOQIVXSSFSY-UHFFFAOYSA-N
XLogP0.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.12
LogP ≤ 50.36
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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Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethanol?
The IUPAC name of 1-ethoxyethanol (CID 10129898) is 1-ethoxyethanol.
What is the SMILES notation for 1-ethoxyethanol?
The canonical SMILES for 1-ethoxyethanol is CCOC(C)O.
What is the InChIKey of 1-ethoxyethanol?
The InChIKey is CAFAOQIVXSSFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2/c1-3-6-4(2)5/h4-5H,3H2,1-2H3.
What are the key properties of 1-ethoxyethanol?
1-ethoxyethanol has a molecular weight of 90.12 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethanol is sourced from PubChem (CID 10129898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).