2-[2-(2-ethylhexyl)phenyl]oxirane

C16H24O — CID 174317982

IUPAC2-[2-(2-ethylhexyl)phenyl]oxirane
SMILESCCCCC(CC)Cc1ccccc1C1CO1
InChIInChI=1S/C16H24O/c1-3-5-8-13(4-2)11-14-9-6-7-10-15(14)16-12-17-16/h6-7,9-10,13,16H,3-5,8,11-12H2,1-2H3
InChIKeyUJJVZBCHPPEEFU-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.52
Rot. Bonds7

About 2-[2-(2-ethylhexyl)phenyl]oxirane

2-[2-(2-ethylhexyl)phenyl]oxirane (PubChem CID 174317982) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[2-(2-ethylhexyl)phenyl]oxirane.

Molecular Properties

Compound Name2-[2-(2-ethylhexyl)phenyl]oxirane
PubChem CID174317982
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name2-[2-(2-ethylhexyl)phenyl]oxirane
SMILESCCCCC(CC)Cc1ccccc1C1CO1
InChIInChI=1S/C16H24O/c1-3-5-8-13(4-2)11-14-9-6-7-10-15(14)16-12-17-16/h6-7,9-10,13,16H,3-5,8,11-12H2,1-2H3
InChIKeyUJJVZBCHPPEEFU-UHFFFAOYSA-N
XLogP4.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-2-(2-ethylhexyl)benzene
CID 154130996
1-(2-ethylhexyl)-2-methylbenzene
CID 54294773
1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483
dicesium;2-(2-nonylphenyl)oxirane;sulfate
CID 173298779
4-(2-ethylhexyl)benzene-1,2,3-triol
CID 58275156
1,3-bis(2-ethylhexyl)-1H-indene
CID 582598
1,2-bis(2-ethylhexyl)-3-nonylbenzene
CID 91541157
N-(2-ethylhexyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148861
1,2,3,4-tetrakis(2-ethylhexyl)-5-phenylbenzene
CID 173144517
1-(2-ethylhexyl)-2,4-difluorobenzene;titanium
CID 174433926
3-(2-ethylhexyl)-2-phenylbenzonitrile
CID 91192220
[1,1-bis(methylsulfanyl)-4-[2-(oxiran-2-yl)phenyl]butyl]-trimethylsilane
CID 101492968

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylhexyl)phenyl]oxirane?
The IUPAC name of 2-[2-(2-ethylhexyl)phenyl]oxirane (CID 174317982) is 2-[2-(2-ethylhexyl)phenyl]oxirane.
What is the SMILES notation for 2-[2-(2-ethylhexyl)phenyl]oxirane?
The canonical SMILES for 2-[2-(2-ethylhexyl)phenyl]oxirane is CCCCC(CC)Cc1ccccc1C1CO1.
What is the InChIKey of 2-[2-(2-ethylhexyl)phenyl]oxirane?
The InChIKey is UJJVZBCHPPEEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-3-5-8-13(4-2)11-14-9-6-7-10-15(14)16-12-17-16/h6-7,9-10,13,16H,3-5,8,11-12H2,1-2H3.
What are the key properties of 2-[2-(2-ethylhexyl)phenyl]oxirane?
2-[2-(2-ethylhexyl)phenyl]oxirane has a molecular weight of 232.37 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylhexyl)phenyl]oxirane is sourced from PubChem (CID 174317982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).