1-methoxy-2-propa-1,2-dienoxypropane

C7H12O2 — CID 23555847

IUPAC1-methoxy-2-propa-1,2-dienoxypropane
SMILESC=C=COC(C)COC
InChIInChI=1S/C7H12O2/c1-4-5-9-7(2)6-8-3/h5,7H,1,6H2,2-3H3
InChIKeyAWYCBXLPWYIYIC-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.34
Rot. Bonds4

About 1-methoxy-2-propa-1,2-dienoxypropane

1-methoxy-2-propa-1,2-dienoxypropane (PubChem CID 23555847) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-methoxy-2-propa-1,2-dienoxypropane.

Molecular Properties

Compound Name1-methoxy-2-propa-1,2-dienoxypropane
PubChem CID23555847
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name1-methoxy-2-propa-1,2-dienoxypropane
SMILESC=C=COC(C)COC
InChIInChI=1S/C7H12O2/c1-4-5-9-7(2)6-8-3/h5,7H,1,6H2,2-3H3
InChIKeyAWYCBXLPWYIYIC-UHFFFAOYSA-N
XLogP1.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.34
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 1-methoxy-2-propa-1,2-dienoxypropane?
The IUPAC name of 1-methoxy-2-propa-1,2-dienoxypropane (CID 23555847) is 1-methoxy-2-propa-1,2-dienoxypropane.
What is the SMILES notation for 1-methoxy-2-propa-1,2-dienoxypropane?
The canonical SMILES for 1-methoxy-2-propa-1,2-dienoxypropane is C=C=COC(C)COC.
What is the InChIKey of 1-methoxy-2-propa-1,2-dienoxypropane?
The InChIKey is AWYCBXLPWYIYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-4-5-9-7(2)6-8-3/h5,7H,1,6H2,2-3H3.
What are the key properties of 1-methoxy-2-propa-1,2-dienoxypropane?
1-methoxy-2-propa-1,2-dienoxypropane has a molecular weight of 128.17 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-propa-1,2-dienoxypropane is sourced from PubChem (CID 23555847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).