1-ethoxy-1-methoxypropane

C6H14O2 — CID 19964037

IUPAC1-ethoxy-1-methoxypropane
SMILESCCOC(CC)OC
InChIInChI=1S/C6H14O2/c1-4-6(7-3)8-5-2/h6H,4-5H2,1-3H3
InChIKeyCBQQIJZTSICUJL-UHFFFAOYSA-N
MW118.18 g/mol
LogP1.41
Rot. Bonds4

About 1-ethoxy-1-methoxypropane

1-ethoxy-1-methoxypropane (PubChem CID 19964037) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is 1-ethoxy-1-methoxypropane.

Molecular Properties

Compound Name1-ethoxy-1-methoxypropane
PubChem CID19964037
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Name1-ethoxy-1-methoxypropane
SMILESCCOC(CC)OC
InChIInChI=1S/C6H14O2/c1-4-6(7-3)8-5-2/h6H,4-5H2,1-3H3
InChIKeyCBQQIJZTSICUJL-UHFFFAOYSA-N
XLogP1.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 51.41
H-Bond Donors ≤ 50
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-ethoxy-1-methoxypropane?
The IUPAC name of 1-ethoxy-1-methoxypropane (CID 19964037) is 1-ethoxy-1-methoxypropane.
What is the SMILES notation for 1-ethoxy-1-methoxypropane?
The canonical SMILES for 1-ethoxy-1-methoxypropane is CCOC(CC)OC.
What is the InChIKey of 1-ethoxy-1-methoxypropane?
The InChIKey is CBQQIJZTSICUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2/c1-4-6(7-3)8-5-2/h6H,4-5H2,1-3H3.
What are the key properties of 1-ethoxy-1-methoxypropane?
1-ethoxy-1-methoxypropane has a molecular weight of 118.18 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-methoxypropane is sourced from PubChem (CID 19964037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).