2-(2-methylbut-3-enoxymethyl)oxirane

C8H14O2 — CID 56977857

IUPAC2-(2-methylbut-3-enoxymethyl)oxirane
SMILESC=CC(C)COCC1CO1
InChIInChI=1S/C8H14O2/c1-3-7(2)4-9-5-8-6-10-8/h3,7-8H,1,4-6H2,2H3
InChIKeyAZSVZKCONZURNF-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.22
Rot. Bonds5

About 2-(2-methylbut-3-enoxymethyl)oxirane

2-(2-methylbut-3-enoxymethyl)oxirane (PubChem CID 56977857) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(2-methylbut-3-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-(2-methylbut-3-enoxymethyl)oxirane
PubChem CID56977857
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-(2-methylbut-3-enoxymethyl)oxirane
SMILESC=CC(C)COCC1CO1
InChIInChI=1S/C8H14O2/c1-3-7(2)4-9-5-8-6-10-8/h3,7-8H,1,4-6H2,2H3
InChIKeyAZSVZKCONZURNF-UHFFFAOYSA-N
XLogP1.22
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-methylbut-3-enoxymethyl)oxirane?
The IUPAC name of 2-(2-methylbut-3-enoxymethyl)oxirane (CID 56977857) is 2-(2-methylbut-3-enoxymethyl)oxirane.
What is the SMILES notation for 2-(2-methylbut-3-enoxymethyl)oxirane?
The canonical SMILES for 2-(2-methylbut-3-enoxymethyl)oxirane is C=CC(C)COCC1CO1.
What is the InChIKey of 2-(2-methylbut-3-enoxymethyl)oxirane?
The InChIKey is AZSVZKCONZURNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-7(2)4-9-5-8-6-10-8/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 2-(2-methylbut-3-enoxymethyl)oxirane?
2-(2-methylbut-3-enoxymethyl)oxirane has a molecular weight of 142.20 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbut-3-enoxymethyl)oxirane is sourced from PubChem (CID 56977857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).