1-[2-[(E)-prop-1-enoxy]ethoxy]propane

C8H16O2 — CID 21337116

IUPAC1-[2-[(E)-prop-1-enoxy]ethoxy]propane
SMILESC/C=C/OCCOCCC
InChIInChI=1S/C8H16O2/c1-3-5-9-7-8-10-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+
InChIKeyHVQPQYCYXBUARJ-HWKANZROSA-N
MW144.21 g/mol
LogP1.96
Rot. Bonds6

About 1-[2-[(E)-prop-1-enoxy]ethoxy]propane

1-[2-[(E)-prop-1-enoxy]ethoxy]propane (PubChem CID 21337116) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-[2-[(E)-prop-1-enoxy]ethoxy]propane.

Molecular Properties

Compound Name1-[2-[(E)-prop-1-enoxy]ethoxy]propane
PubChem CID21337116
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-[2-[(E)-prop-1-enoxy]ethoxy]propane
SMILESC/C=C/OCCOCCC
InChIInChI=1S/C8H16O2/c1-3-5-9-7-8-10-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+
InChIKeyHVQPQYCYXBUARJ-HWKANZROSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-prop-1-enoxy]ethoxy]propane?
The IUPAC name of 1-[2-[(E)-prop-1-enoxy]ethoxy]propane (CID 21337116) is 1-[2-[(E)-prop-1-enoxy]ethoxy]propane.
What is the SMILES notation for 1-[2-[(E)-prop-1-enoxy]ethoxy]propane?
The canonical SMILES for 1-[2-[(E)-prop-1-enoxy]ethoxy]propane is C/C=C/OCCOCCC.
What is the InChIKey of 1-[2-[(E)-prop-1-enoxy]ethoxy]propane?
The InChIKey is HVQPQYCYXBUARJ-HWKANZROSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-5-9-7-8-10-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+.
What are the key properties of 1-[2-[(E)-prop-1-enoxy]ethoxy]propane?
1-[2-[(E)-prop-1-enoxy]ethoxy]propane has a molecular weight of 144.21 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-prop-1-enoxy]ethoxy]propane is sourced from PubChem (CID 21337116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).