1-ethoxy-2-methanidyloxyethane

C5H10O2-2 — CID 169043179

IUPAC1-ethoxy-2-methanidyloxyethane
SMILES[CH2-]COCCO[CH2-]
InChIInChI=1S/C5H10O2/c1-3-7-5-4-6-2/h1-5H2/q-2
InChIKeyBOZJNYNAAVXLGX-UHFFFAOYSA-N
MW102.13 g/mol
LogP0.65
Rot. Bonds4

About 1-ethoxy-2-methanidyloxyethane

1-ethoxy-2-methanidyloxyethane (PubChem CID 169043179) has the molecular formula C5H10O2-2 and a molecular weight of 102.13 g/mol. Its IUPAC name is 1-ethoxy-2-methanidyloxyethane.

Molecular Properties

Compound Name1-ethoxy-2-methanidyloxyethane
PubChem CID169043179
Molecular FormulaC5H10O2-2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name1-ethoxy-2-methanidyloxyethane
SMILES[CH2-]COCCO[CH2-]
InChIInChI=1S/C5H10O2/c1-3-7-5-4-6-2/h1-5H2/q-2
InChIKeyBOZJNYNAAVXLGX-UHFFFAOYSA-N
XLogP0.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-methanidyloxyethane?
The IUPAC name of 1-ethoxy-2-methanidyloxyethane (CID 169043179) is 1-ethoxy-2-methanidyloxyethane.
What is the SMILES notation for 1-ethoxy-2-methanidyloxyethane?
The canonical SMILES for 1-ethoxy-2-methanidyloxyethane is [CH2-]COCCO[CH2-].
What is the InChIKey of 1-ethoxy-2-methanidyloxyethane?
The InChIKey is BOZJNYNAAVXLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-3-7-5-4-6-2/h1-5H2/q-2.
What are the key properties of 1-ethoxy-2-methanidyloxyethane?
1-ethoxy-2-methanidyloxyethane has a molecular weight of 102.13 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-methanidyloxyethane is sourced from PubChem (CID 169043179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).