2-methyl-3-prop-2-enyloxirane

C6H10O — CID 14740383

IUPAC2-methyl-3-prop-2-enyloxirane
SMILESC=CCC1OC1C
InChIInChI=1S/C6H10O/c1-3-4-6-5(2)7-6/h3,5-6H,1,4H2,2H3
InChIKeyXZYFHFYPGVWYDB-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.35
Rot. Bonds2

About 2-methyl-3-prop-2-enyloxirane

2-methyl-3-prop-2-enyloxirane (PubChem CID 14740383) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 2-methyl-3-prop-2-enyloxirane.

Molecular Properties

Compound Name2-methyl-3-prop-2-enyloxirane
PubChem CID14740383
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name2-methyl-3-prop-2-enyloxirane
SMILESC=CCC1OC1C
InChIInChI=1S/C6H10O/c1-3-4-6-5(2)7-6/h3,5-6H,1,4H2,2H3
InChIKeyXZYFHFYPGVWYDB-UHFFFAOYSA-N
XLogP1.35
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-methyl-3-prop-2-enyloxirane?
The IUPAC name of 2-methyl-3-prop-2-enyloxirane (CID 14740383) is 2-methyl-3-prop-2-enyloxirane.
What is the SMILES notation for 2-methyl-3-prop-2-enyloxirane?
The canonical SMILES for 2-methyl-3-prop-2-enyloxirane is C=CCC1OC1C.
What is the InChIKey of 2-methyl-3-prop-2-enyloxirane?
The InChIKey is XZYFHFYPGVWYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-3-4-6-5(2)7-6/h3,5-6H,1,4H2,2H3.
What are the key properties of 2-methyl-3-prop-2-enyloxirane?
2-methyl-3-prop-2-enyloxirane has a molecular weight of 98.14 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-prop-2-enyloxirane is sourced from PubChem (CID 14740383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).