2-(4-tert-butylphenoxy)-3-methyloxirane

C13H18O2 — CID 154091421

IUPAC2-(4-tert-butylphenoxy)-3-methyloxirane
SMILESCC1OC1Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H18O2/c1-9-12(14-9)15-11-7-5-10(6-8-11)13(2,3)4/h5-9,12H,1-4H3
InChIKeyLOPNPCZXQROOSS-UHFFFAOYSA-N
MW206.29 g/mol
LogP3.11
Rot. Bonds2

About 2-(4-tert-butylphenoxy)-3-methyloxirane

2-(4-tert-butylphenoxy)-3-methyloxirane (PubChem CID 154091421) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-3-methyloxirane.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-3-methyloxirane
PubChem CID154091421
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name2-(4-tert-butylphenoxy)-3-methyloxirane
SMILESCC1OC1Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H18O2/c1-9-12(14-9)15-11-7-5-10(6-8-11)13(2,3)4/h5-9,12H,1-4H3
InChIKeyLOPNPCZXQROOSS-UHFFFAOYSA-N
XLogP3.11
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-3-methyloxirane?
The IUPAC name of 2-(4-tert-butylphenoxy)-3-methyloxirane (CID 154091421) is 2-(4-tert-butylphenoxy)-3-methyloxirane.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-3-methyloxirane?
The canonical SMILES for 2-(4-tert-butylphenoxy)-3-methyloxirane is CC1OC1Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-3-methyloxirane?
The InChIKey is LOPNPCZXQROOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-12(14-9)15-11-7-5-10(6-8-11)13(2,3)4/h5-9,12H,1-4H3.
What are the key properties of 2-(4-tert-butylphenoxy)-3-methyloxirane?
2-(4-tert-butylphenoxy)-3-methyloxirane has a molecular weight of 206.29 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-3-methyloxirane is sourced from PubChem (CID 154091421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).