2-(1-methoxypropa-1,2-dienyl)-2-methyloxirane

C7H10O2 — CID 13011749

IUPAC2-(1-methoxypropa-1,2-dienyl)-2-methyloxirane
SMILESC=C=C(OC)C1(C)CO1
InChIInChI=1S/C7H10O2/c1-4-6(8-3)7(2)5-9-7/h1,5H2,2-3H3
InChIKeyGAEQYZLANLWHCP-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.09
Rot. Bonds2

About 2-(1-methoxypropa-1,2-dienyl)-2-methyloxirane

2-(1-methoxypropa-1,2-dienyl)-2-methyloxirane (PubChem CID 13011749) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 2-(1-methoxypropa-1,2-dienyl)-2-methyloxirane.

Molecular Properties

Compound Name2-(1-methoxypropa-1,2-dienyl)-2-methyloxirane
PubChem CID13011749
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name2-(1-methoxypropa-1,2-dienyl)-2-methyloxirane
SMILESC=C=C(OC)C1(C)CO1
InChIInChI=1S/C7H10O2/c1-4-6(8-3)7(2)5-9-7/h1,5H2,2-3H3
InChIKeyGAEQYZLANLWHCP-UHFFFAOYSA-N
XLogP1.09
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropa-1,2-dienyl)-2-methyloxirane?
The IUPAC name of 2-(1-methoxypropa-1,2-dienyl)-2-methyloxirane (CID 13011749) is 2-(1-methoxypropa-1,2-dienyl)-2-methyloxirane.
What is the SMILES notation for 2-(1-methoxypropa-1,2-dienyl)-2-methyloxirane?
The canonical SMILES for 2-(1-methoxypropa-1,2-dienyl)-2-methyloxirane is C=C=C(OC)C1(C)CO1.
What is the InChIKey of 2-(1-methoxypropa-1,2-dienyl)-2-methyloxirane?
The InChIKey is GAEQYZLANLWHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-4-6(8-3)7(2)5-9-7/h1,5H2,2-3H3.
What are the key properties of 2-(1-methoxypropa-1,2-dienyl)-2-methyloxirane?
2-(1-methoxypropa-1,2-dienyl)-2-methyloxirane has a molecular weight of 126.15 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropa-1,2-dienyl)-2-methyloxirane is sourced from PubChem (CID 13011749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).