3-(2-butylphenyl)-3-propyldioxirane

C14H20O2 — CID 141039905

IUPAC3-(2-butylphenyl)-3-propyldioxirane
SMILESCCCCc1ccccc1C1(CCC)OO1
InChIInChI=1S/C14H20O2/c1-3-5-8-12-9-6-7-10-13(12)14(11-4-2)15-16-14/h6-7,9-10H,3-5,8,11H2,1-2H3
InChIKeyGLSDLNCBGZTDJN-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.94
Rot. Bonds6

About 3-(2-butylphenyl)-3-propyldioxirane

3-(2-butylphenyl)-3-propyldioxirane (PubChem CID 141039905) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-(2-butylphenyl)-3-propyldioxirane.

Molecular Properties

Compound Name3-(2-butylphenyl)-3-propyldioxirane
PubChem CID141039905
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-(2-butylphenyl)-3-propyldioxirane
SMILESCCCCc1ccccc1C1(CCC)OO1
InChIInChI=1S/C14H20O2/c1-3-5-8-12-9-6-7-10-13(12)14(11-4-2)15-16-14/h6-7,9-10H,3-5,8,11H2,1-2H3
InChIKeyGLSDLNCBGZTDJN-UHFFFAOYSA-N
XLogP3.94
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 159940559
CID 159940559
1-butyl-2-prop-2-enylbenzene
CID 18786435
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
CID 173139810
CID 173139810
1-methyl-2-pentylbenzene
CID 524553
1-butyl-2-methylbenzene;ethane;propane
CID 142102479
1,2-dihexylbenzene;hydrate
CID 172833093
2-butylbenzenethiol;trihydrofluoride
CID 173024842

Frequently Asked Questions

What is the IUPAC name of 3-(2-butylphenyl)-3-propyldioxirane?
The IUPAC name of 3-(2-butylphenyl)-3-propyldioxirane (CID 141039905) is 3-(2-butylphenyl)-3-propyldioxirane.
What is the SMILES notation for 3-(2-butylphenyl)-3-propyldioxirane?
The canonical SMILES for 3-(2-butylphenyl)-3-propyldioxirane is CCCCc1ccccc1C1(CCC)OO1.
What is the InChIKey of 3-(2-butylphenyl)-3-propyldioxirane?
The InChIKey is GLSDLNCBGZTDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-5-8-12-9-6-7-10-13(12)14(11-4-2)15-16-14/h6-7,9-10H,3-5,8,11H2,1-2H3.
What are the key properties of 3-(2-butylphenyl)-3-propyldioxirane?
3-(2-butylphenyl)-3-propyldioxirane has a molecular weight of 220.31 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butylphenyl)-3-propyldioxirane is sourced from PubChem (CID 141039905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).