1-[(E)-2-methoxyethenoxy]propane

C6H12O2 — CID 18988600

IUPAC1-[(E)-2-methoxyethenoxy]propane
SMILESCCCO/C=C/OC
InChIInChI=1S/C6H12O2/c1-3-4-8-6-5-7-2/h5-6H,3-4H2,1-2H3/b6-5+
InChIKeyKCEAXRCLLADEFG-AATRIKPKSA-N
MW116.16 g/mol
LogP1.53
Rot. Bonds4

About 1-[(E)-2-methoxyethenoxy]propane

1-[(E)-2-methoxyethenoxy]propane (PubChem CID 18988600) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 1-[(E)-2-methoxyethenoxy]propane.

Molecular Properties

Compound Name1-[(E)-2-methoxyethenoxy]propane
PubChem CID18988600
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name1-[(E)-2-methoxyethenoxy]propane
SMILESCCCO/C=C/OC
InChIInChI=1S/C6H12O2/c1-3-4-8-6-5-7-2/h5-6H,3-4H2,1-2H3/b6-5+
InChIKeyKCEAXRCLLADEFG-AATRIKPKSA-N
XLogP1.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.53
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-[(E)-2-methoxyethenoxy]propane?
The IUPAC name of 1-[(E)-2-methoxyethenoxy]propane (CID 18988600) is 1-[(E)-2-methoxyethenoxy]propane.
What is the SMILES notation for 1-[(E)-2-methoxyethenoxy]propane?
The canonical SMILES for 1-[(E)-2-methoxyethenoxy]propane is CCCO/C=C/OC.
What is the InChIKey of 1-[(E)-2-methoxyethenoxy]propane?
The InChIKey is KCEAXRCLLADEFG-AATRIKPKSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-4-8-6-5-7-2/h5-6H,3-4H2,1-2H3/b6-5+.
What are the key properties of 1-[(E)-2-methoxyethenoxy]propane?
1-[(E)-2-methoxyethenoxy]propane has a molecular weight of 116.16 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-methoxyethenoxy]propane is sourced from PubChem (CID 18988600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).