ethenoxyethane

C4H7O+ — CID 20721338

IUPACethenoxyethane
SMILES[H]/[C+]=C/OCC
InChIInChI=1S/C4H7O/c1-3-5-4-2/h1,3H,4H2,2H3/q+1
InChIKeyVJTJASBEPAATBX-UHFFFAOYSA-N
MW71.10 g/mol
LogP0.97
Rot. Bonds2

About ethenoxyethane

ethenoxyethane (PubChem CID 20721338) has the molecular formula C4H7O+ and a molecular weight of 71.10 g/mol. Its IUPAC name is ethenoxyethane.

Molecular Properties

Compound Nameethenoxyethane
PubChem CID20721338
Molecular FormulaC4H7O+
Molecular Weight71.10 g/mol
Exact Mass71.05
IUPAC Nameethenoxyethane
SMILES[H]/[C+]=C/OCC
InChIInChI=1S/C4H7O/c1-3-5-4-2/h1,3H,4H2,2H3/q+1
InChIKeyVJTJASBEPAATBX-UHFFFAOYSA-N
XLogP0.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50071.10
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenoxyethane?
The IUPAC name of ethenoxyethane (CID 20721338) is ethenoxyethane.
What is the SMILES notation for ethenoxyethane?
The canonical SMILES for ethenoxyethane is [H]/[C+]=C/OCC.
What is the InChIKey of ethenoxyethane?
The InChIKey is VJTJASBEPAATBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O/c1-3-5-4-2/h1,3H,4H2,2H3/q+1.
What are the key properties of ethenoxyethane?
ethenoxyethane has a molecular weight of 71.10 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyethane is sourced from PubChem (CID 20721338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).