2-(butoxymethyl)-2-(2,4-dimethylphenyl)oxirane

C15H22O2 — CID 163004469

IUPAC2-(butoxymethyl)-2-(2,4-dimethylphenyl)oxirane
SMILESCCCCOCC1(c2ccc(C)cc2C)CO1
InChIInChI=1S/C15H22O2/c1-4-5-8-16-10-15(11-17-15)14-7-6-12(2)9-13(14)3/h6-7,9H,4-5,8,10-11H2,1-3H3
InChIKeyQSBPKEIAKIHAOB-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.35
Rot. Bonds6

About 2-(butoxymethyl)-2-(2,4-dimethylphenyl)oxirane

2-(butoxymethyl)-2-(2,4-dimethylphenyl)oxirane (PubChem CID 163004469) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(butoxymethyl)-2-(2,4-dimethylphenyl)oxirane.

Molecular Properties

Compound Name2-(butoxymethyl)-2-(2,4-dimethylphenyl)oxirane
PubChem CID163004469
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-(butoxymethyl)-2-(2,4-dimethylphenyl)oxirane
SMILESCCCCOCC1(c2ccc(C)cc2C)CO1
InChIInChI=1S/C15H22O2/c1-4-5-8-16-10-15(11-17-15)14-7-6-12(2)9-13(14)3/h6-7,9H,4-5,8,10-11H2,1-3H3
InChIKeyQSBPKEIAKIHAOB-UHFFFAOYSA-N
XLogP3.35
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzenemethanol, 2,4-dimethyl-, 1-acetate
CID 94602
2-Methyl-2-phenyloxirane
CID 16398
2-(3-Methylphenyl)oxirane
CID 152312
1-(2-Methoxypropan-2-yl)-4-methylbenzene
CID 14121774
2-(4-Methylphenyl)oxirane
CID 108111
(5S,6R,7R,8S)-5-(3-(4-ethylbenzyl)-4-methylphenyl)-4-oxaspiro[2.5]octane-6,7,8-triol
CID 46865788
2-(4-Biphenylyl)-2-methyloxirane
CID 149056
2-Ethyl-2-phenyloxirane
CID 10997195
3,4-Dimethylstyrene oxide
CID 159631
US8815951, Epoxide Hydrolase Inhibitor 12
CID 86766828
2-Methyl-2-[4-(trifluoromethyl)phenyl]oxirane
CID 16735287
Benzene, (1-methyl-1-(2-propen-1-yloxy)ethyl)-
CID 112323

Frequently Asked Questions

What is the IUPAC name of 2-(butoxymethyl)-2-(2,4-dimethylphenyl)oxirane?
The IUPAC name of 2-(butoxymethyl)-2-(2,4-dimethylphenyl)oxirane (CID 163004469) is 2-(butoxymethyl)-2-(2,4-dimethylphenyl)oxirane.
What is the SMILES notation for 2-(butoxymethyl)-2-(2,4-dimethylphenyl)oxirane?
The canonical SMILES for 2-(butoxymethyl)-2-(2,4-dimethylphenyl)oxirane is CCCCOCC1(c2ccc(C)cc2C)CO1.
What is the InChIKey of 2-(butoxymethyl)-2-(2,4-dimethylphenyl)oxirane?
The InChIKey is QSBPKEIAKIHAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-5-8-16-10-15(11-17-15)14-7-6-12(2)9-13(14)3/h6-7,9H,4-5,8,10-11H2,1-3H3.
What are the key properties of 2-(butoxymethyl)-2-(2,4-dimethylphenyl)oxirane?
2-(butoxymethyl)-2-(2,4-dimethylphenyl)oxirane has a molecular weight of 234.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxymethyl)-2-(2,4-dimethylphenyl)oxirane is sourced from PubChem (CID 163004469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).