4-methyl-2-methylperoxy-1-propan-2-ylbenzene

C11H16O2 — CID 135233977

IUPAC4-methyl-2-methylperoxy-1-propan-2-ylbenzene
SMILESCOOc1cc(C)ccc1C(C)C
InChIInChI=1S/C11H16O2/c1-8(2)10-6-5-9(3)7-11(10)13-12-4/h5-8H,1-4H3
InChIKeyVUVRZZJFCIYAKG-UHFFFAOYSA-N
MW180.25 g/mol
LogP3.06
Rot. Bonds3

About 4-methyl-2-methylperoxy-1-propan-2-ylbenzene

4-methyl-2-methylperoxy-1-propan-2-ylbenzene (PubChem CID 135233977) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-methyl-2-methylperoxy-1-propan-2-ylbenzene.

Molecular Properties

Compound Name4-methyl-2-methylperoxy-1-propan-2-ylbenzene
PubChem CID135233977
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-methyl-2-methylperoxy-1-propan-2-ylbenzene
SMILESCOOc1cc(C)ccc1C(C)C
InChIInChI=1S/C11H16O2/c1-8(2)10-6-5-9(3)7-11(10)13-12-4/h5-8H,1-4H3
InChIKeyVUVRZZJFCIYAKG-UHFFFAOYSA-N
XLogP3.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine
CID 57266754
methyl (5-methyl-2-propan-2-ylphenyl) hydrogen phosphate
CID 174605575
[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 22688691
2-azidooxy-4-methyl-1-propan-2-ylbenzene
CID 91157951
2-methoxy-N-(2-methoxyethyl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine
CID 5262022
2-[2,2-dichloro-1-fluoro-1-(5-methyl-2-propan-2-ylphenoxy)ethoxy]-4-methyl-1-propan-2-ylbenzene
CID 155930094
4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine
CID 43118963
2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 47095241
[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 22688609
methyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate
CID 43537579
ethyl (5-methyl-2-propan-2-ylphenyl) carbonate
CID 162444144
2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylperoxy-1-propan-2-ylbenzene?
The IUPAC name of 4-methyl-2-methylperoxy-1-propan-2-ylbenzene (CID 135233977) is 4-methyl-2-methylperoxy-1-propan-2-ylbenzene.
What is the SMILES notation for 4-methyl-2-methylperoxy-1-propan-2-ylbenzene?
The canonical SMILES for 4-methyl-2-methylperoxy-1-propan-2-ylbenzene is COOc1cc(C)ccc1C(C)C.
What is the InChIKey of 4-methyl-2-methylperoxy-1-propan-2-ylbenzene?
The InChIKey is VUVRZZJFCIYAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8(2)10-6-5-9(3)7-11(10)13-12-4/h5-8H,1-4H3.
What are the key properties of 4-methyl-2-methylperoxy-1-propan-2-ylbenzene?
4-methyl-2-methylperoxy-1-propan-2-ylbenzene has a molecular weight of 180.25 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylperoxy-1-propan-2-ylbenzene is sourced from PubChem (CID 135233977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).