2-methoxy-3-prop-2-enoxyprop-1-ene

C7H12O2 — CID 24976331

IUPAC2-methoxy-3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC(=C)OC
InChIInChI=1S/C7H12O2/c1-4-5-9-6-7(2)8-3/h4H,1-2,5-6H2,3H3
InChIKeyVSKGVEJORUZIKC-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.35
Rot. Bonds5

About 2-methoxy-3-prop-2-enoxyprop-1-ene

2-methoxy-3-prop-2-enoxyprop-1-ene (PubChem CID 24976331) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-methoxy-3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Name2-methoxy-3-prop-2-enoxyprop-1-ene
PubChem CID24976331
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-methoxy-3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC(=C)OC
InChIInChI=1S/C7H12O2/c1-4-5-9-6-7(2)8-3/h4H,1-2,5-6H2,3H3
InChIKeyVSKGVEJORUZIKC-UHFFFAOYSA-N
XLogP1.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.35
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-prop-2-enoxyprop-1-ene?
The IUPAC name of 2-methoxy-3-prop-2-enoxyprop-1-ene (CID 24976331) is 2-methoxy-3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for 2-methoxy-3-prop-2-enoxyprop-1-ene?
The canonical SMILES for 2-methoxy-3-prop-2-enoxyprop-1-ene is C=CCOCC(=C)OC.
What is the InChIKey of 2-methoxy-3-prop-2-enoxyprop-1-ene?
The InChIKey is VSKGVEJORUZIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-4-5-9-6-7(2)8-3/h4H,1-2,5-6H2,3H3.
What are the key properties of 2-methoxy-3-prop-2-enoxyprop-1-ene?
2-methoxy-3-prop-2-enoxyprop-1-ene has a molecular weight of 128.17 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 24976331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).