2-[(2,3-dibutylphenoxy)methyl]oxirane

C17H26O2 — CID 154323434

IUPAC2-[(2,3-dibutylphenoxy)methyl]oxirane
SMILESCCCCc1cccc(OCC2CO2)c1CCCC
InChIInChI=1S/C17H26O2/c1-3-5-8-14-9-7-11-17(16(14)10-6-4-2)19-13-15-12-18-15/h7,9,11,15H,3-6,8,10,12-13H2,1-2H3
InChIKeySUTPULZQQOCNEH-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.15
Rot. Bonds9

About 2-[(2,3-dibutylphenoxy)methyl]oxirane

2-[(2,3-dibutylphenoxy)methyl]oxirane (PubChem CID 154323434) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-[(2,3-dibutylphenoxy)methyl]oxirane.

Molecular Properties

Compound Name2-[(2,3-dibutylphenoxy)methyl]oxirane
PubChem CID154323434
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-[(2,3-dibutylphenoxy)methyl]oxirane
SMILESCCCCc1cccc(OCC2CO2)c1CCCC
InChIInChI=1S/C17H26O2/c1-3-5-8-14-9-7-11-17(16(14)10-6-4-2)19-13-15-12-18-15/h7,9,11,15H,3-6,8,10,12-13H2,1-2H3
InChIKeySUTPULZQQOCNEH-UHFFFAOYSA-N
XLogP4.15
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.15
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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Related Compounds

bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
2-[[2-[(E)-octadec-12-enyl]phenoxy]methyl]oxirane
CID 101313228
2-[[2-[(E)-heptadec-11-enyl]phenoxy]methyl]oxirane
CID 101313131
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
2-[[2-[(E)-tridec-9-enyl]phenoxy]methyl]oxirane
CID 101312807
CID 173004407
CID 173004407
1-ethoxy-2-nonylbenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88512513
1-(2,3-dipentylphenoxy)-2,3-dipentylbenzene
CID 70140001
trimethoxy-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane
CID 151603348
[dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane
CID 22168337
ethane;2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 158003640
2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 134322112

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dibutylphenoxy)methyl]oxirane?
The IUPAC name of 2-[(2,3-dibutylphenoxy)methyl]oxirane (CID 154323434) is 2-[(2,3-dibutylphenoxy)methyl]oxirane.
What is the SMILES notation for 2-[(2,3-dibutylphenoxy)methyl]oxirane?
The canonical SMILES for 2-[(2,3-dibutylphenoxy)methyl]oxirane is CCCCc1cccc(OCC2CO2)c1CCCC.
What is the InChIKey of 2-[(2,3-dibutylphenoxy)methyl]oxirane?
The InChIKey is SUTPULZQQOCNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-3-5-8-14-9-7-11-17(16(14)10-6-4-2)19-13-15-12-18-15/h7,9,11,15H,3-6,8,10,12-13H2,1-2H3.
What are the key properties of 2-[(2,3-dibutylphenoxy)methyl]oxirane?
2-[(2,3-dibutylphenoxy)methyl]oxirane has a molecular weight of 262.39 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dibutylphenoxy)methyl]oxirane is sourced from PubChem (CID 154323434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).