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

C6H12O2 — CID 102121602

IUPAC2-[(E)-2-methoxyethenoxy]propane
SMILESCO/C=C/OC(C)C
InChIInChI=1S/C6H12O2/c1-6(2)8-5-4-7-3/h4-6H,1-3H3/b5-4+
InChIKeyWCSGQZHSADGEOS-SNAWJCMRSA-N
MW116.16 g/mol
LogP1.53
Rot. Bonds3

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

2-[(E)-2-methoxyethenoxy]propane (PubChem CID 102121602) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-[(E)-2-methoxyethenoxy]propane.

Molecular Properties

Compound Name2-[(E)-2-methoxyethenoxy]propane
PubChem CID102121602
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-[(E)-2-methoxyethenoxy]propane
SMILESCO/C=C/OC(C)C
InChIInChI=1S/C6H12O2/c1-6(2)8-5-4-7-3/h4-6H,1-3H3/b5-4+
InChIKeyWCSGQZHSADGEOS-SNAWJCMRSA-N
XLogP1.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-methoxyethenoxy]propane?
The IUPAC name of 2-[(E)-2-methoxyethenoxy]propane (CID 102121602) is 2-[(E)-2-methoxyethenoxy]propane.
What is the SMILES notation for 2-[(E)-2-methoxyethenoxy]propane?
The canonical SMILES for 2-[(E)-2-methoxyethenoxy]propane is CO/C=C/OC(C)C.
What is the InChIKey of 2-[(E)-2-methoxyethenoxy]propane?
The InChIKey is WCSGQZHSADGEOS-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H12O2/c1-6(2)8-5-4-7-3/h4-6H,1-3H3/b5-4+.
What are the key properties of 2-[(E)-2-methoxyethenoxy]propane?
2-[(E)-2-methoxyethenoxy]propane has a molecular weight of 116.16 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-methoxyethenoxy]propane is sourced from PubChem (CID 102121602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).