2,2-dimethyl-3-(2-methyl-5-propan-2-ylphenyl)oxirane

C14H20O — CID 116864074

IUPAC2,2-dimethyl-3-(2-methyl-5-propan-2-ylphenyl)oxirane
SMILESCc1ccc(C(C)C)cc1C1OC1(C)C
InChIInChI=1S/C14H20O/c1-9(2)11-7-6-10(3)12(8-11)13-14(4,5)15-13/h6-9,13H,1-5H3
InChIKeyAGFUXMDIBWLLQN-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.97
Rot. Bonds2

About 2,2-dimethyl-3-(2-methyl-5-propan-2-ylphenyl)oxirane

2,2-dimethyl-3-(2-methyl-5-propan-2-ylphenyl)oxirane (PubChem CID 116864074) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methyl-5-propan-2-ylphenyl)oxirane.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methyl-5-propan-2-ylphenyl)oxirane
PubChem CID116864074
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2,2-dimethyl-3-(2-methyl-5-propan-2-ylphenyl)oxirane
SMILESCc1ccc(C(C)C)cc1C1OC1(C)C
InChIInChI=1S/C14H20O/c1-9(2)11-7-6-10(3)12(8-11)13-14(4,5)15-13/h6-9,13H,1-5H3
InChIKeyAGFUXMDIBWLLQN-UHFFFAOYSA-N
XLogP3.97
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.97
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-methyl-2-(2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carbonitrile
CID 116842037
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CID 143471865
3-(2-methyl-5-propan-2-ylphenyl)cyclobutan-1-amine
CID 116962785
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
4,4-difluoro-2-(2-methyl-5-propan-2-ylphenyl)pyrrolidine
CID 176665910
2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazolidine
CID 82472471
(3S)-3-(2-methyl-5-propan-2-ylphenyl)morpholine
CID 96844502
2-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-1,3-dioxolane
CID 170874182
1,4-dimethyl-6-propan-2-ylazulene
CID 19861187
2-methyl-5-propan-2-ylaniline;hydrochloride
CID 70565459
methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene
CID 158966469

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methyl-5-propan-2-ylphenyl)oxirane?
The IUPAC name of 2,2-dimethyl-3-(2-methyl-5-propan-2-ylphenyl)oxirane (CID 116864074) is 2,2-dimethyl-3-(2-methyl-5-propan-2-ylphenyl)oxirane.
What is the SMILES notation for 2,2-dimethyl-3-(2-methyl-5-propan-2-ylphenyl)oxirane?
The canonical SMILES for 2,2-dimethyl-3-(2-methyl-5-propan-2-ylphenyl)oxirane is Cc1ccc(C(C)C)cc1C1OC1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methyl-5-propan-2-ylphenyl)oxirane?
The InChIKey is AGFUXMDIBWLLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-9(2)11-7-6-10(3)12(8-11)13-14(4,5)15-13/h6-9,13H,1-5H3.
What are the key properties of 2,2-dimethyl-3-(2-methyl-5-propan-2-ylphenyl)oxirane?
2,2-dimethyl-3-(2-methyl-5-propan-2-ylphenyl)oxirane has a molecular weight of 204.31 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methyl-5-propan-2-ylphenyl)oxirane is sourced from PubChem (CID 116864074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).