2,3,3-trimethylpentaneperoxoic acid

C8H16O3 — CID 87773929

IUPAC2,3,3-trimethylpentaneperoxoic acid
SMILESCCC(C)(C)C(C)C(=O)OO
InChIInChI=1S/C8H16O3/c1-5-8(3,4)6(2)7(9)11-10/h6,10H,5H2,1-4H3
InChIKeyRIUGLCXVHQXQPX-UHFFFAOYSA-N
MW160.21 g/mol
LogP2.07
Rot. Bonds3

About 2,3,3-trimethylpentaneperoxoic acid

2,3,3-trimethylpentaneperoxoic acid (PubChem CID 87773929) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2,3,3-trimethylpentaneperoxoic acid.

Molecular Properties

Compound Name2,3,3-trimethylpentaneperoxoic acid
PubChem CID87773929
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2,3,3-trimethylpentaneperoxoic acid
SMILESCCC(C)(C)C(C)C(=O)OO
InChIInChI=1S/C8H16O3/c1-5-8(3,4)6(2)7(9)11-10/h6,10H,5H2,1-4H3
InChIKeyRIUGLCXVHQXQPX-UHFFFAOYSA-N
XLogP2.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2,3,3,5,5-pentamethylhexaneperoxoic acid
CID 88592568
(1-methylcyclohexyl) 2,3,3-trimethylpentanoate
CID 123317170
3,3-dimethylpentan-2-yl acetate
CID 55253134
(2R)-2-hydroxy-3,3-dimethylpentanamide
CID 126746768
methyl 2-ethyl-3,3-dimethylpentanoate
CID 13113712
ethyl 2-ethyl-2-hydroperoxy-3,3-dimethylbutanoate
CID 174709323
3-methylpentan-3-yl 2-methylpropanoate
CID 59491986
ethyl (2R)-2,3,3-trimethylbutanoate
CID 59132263
ethyl 3,5,5-trimethyl-2-(2-methylbutan-2-yl)hexanoate
CID 123269776
[5,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-hexadecafluoro-2-methyl-6,6-bis(trifluoromethyl)tridecyl] 2,3,3-trimethylpentanoate
CID 89173369
cyclohexyl 3,4,4-trimethyl-2-(2-methylbutan-2-yl)hexanoate
CID 144924273
3-amino-4,4-dimethylhexanoic acid
CID 131229522

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethylpentaneperoxoic acid?
The IUPAC name of 2,3,3-trimethylpentaneperoxoic acid (CID 87773929) is 2,3,3-trimethylpentaneperoxoic acid.
What is the SMILES notation for 2,3,3-trimethylpentaneperoxoic acid?
The canonical SMILES for 2,3,3-trimethylpentaneperoxoic acid is CCC(C)(C)C(C)C(=O)OO.
What is the InChIKey of 2,3,3-trimethylpentaneperoxoic acid?
The InChIKey is RIUGLCXVHQXQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-5-8(3,4)6(2)7(9)11-10/h6,10H,5H2,1-4H3.
What are the key properties of 2,3,3-trimethylpentaneperoxoic acid?
2,3,3-trimethylpentaneperoxoic acid has a molecular weight of 160.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethylpentaneperoxoic acid is sourced from PubChem (CID 87773929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).