4-cyclohexyl-2,2,4-trimethylpentaneperoxoic acid

C14H26O3 — CID 54365598

IUPAC4-cyclohexyl-2,2,4-trimethylpentaneperoxoic acid
SMILESCC(C)(CC(C)(C)C1CCCCC1)C(=O)OO
InChIInChI=1S/C14H26O3/c1-13(2,11-8-6-5-7-9-11)10-14(3,4)12(15)17-16/h11,16H,5-10H2,1-4H3
InChIKeyUPNZKEGXSNQEPW-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.03
Rot. Bonds4

About 4-cyclohexyl-2,2,4-trimethylpentaneperoxoic acid

4-cyclohexyl-2,2,4-trimethylpentaneperoxoic acid (PubChem CID 54365598) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-cyclohexyl-2,2,4-trimethylpentaneperoxoic acid.

Molecular Properties

Compound Name4-cyclohexyl-2,2,4-trimethylpentaneperoxoic acid
PubChem CID54365598
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name4-cyclohexyl-2,2,4-trimethylpentaneperoxoic acid
SMILESCC(C)(CC(C)(C)C1CCCCC1)C(=O)OO
InChIInChI=1S/C14H26O3/c1-13(2,11-8-6-5-7-9-11)10-14(3,4)12(15)17-16/h11,16H,5-10H2,1-4H3
InChIKeyUPNZKEGXSNQEPW-UHFFFAOYSA-N
XLogP4.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.03
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-cyclohexylpropan-2-yl hydroxy carbonate
CID 23207841
CID 100913906
CID 100913906
2,4,4-trimethylpentan-2-ylcyclopentane
CID 90828490
2-cyclohexyl-2-methylpropan-1-amine
CID 19776368
2-cycloheptyl-2-methylpropan-1-amine
CID 82934909
2-cycloheptyl-2-methylpropan-1-ol
CID 82936558
methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]-2-methylpropanoate
CID 115128640
2-cyclohexylpropan-2-yl 2-tert-butyl-2-methylpentanoate
CID 123782316
ethyl 2-cyclohexyl-2-ethoxypropanoate
CID 141274224
2,2,4,4-tetramethylhex-5-eneperoxoic acid
CID 88598611
ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
CID 97047914
(6-cyclohexyl-6-methyl-4-oxoheptyl) 2,2-dimethylbutanoate
CID 59817118

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2,2,4-trimethylpentaneperoxoic acid?
The IUPAC name of 4-cyclohexyl-2,2,4-trimethylpentaneperoxoic acid (CID 54365598) is 4-cyclohexyl-2,2,4-trimethylpentaneperoxoic acid.
What is the SMILES notation for 4-cyclohexyl-2,2,4-trimethylpentaneperoxoic acid?
The canonical SMILES for 4-cyclohexyl-2,2,4-trimethylpentaneperoxoic acid is CC(C)(CC(C)(C)C1CCCCC1)C(=O)OO.
What is the InChIKey of 4-cyclohexyl-2,2,4-trimethylpentaneperoxoic acid?
The InChIKey is UPNZKEGXSNQEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-13(2,11-8-6-5-7-9-11)10-14(3,4)12(15)17-16/h11,16H,5-10H2,1-4H3.
What are the key properties of 4-cyclohexyl-2,2,4-trimethylpentaneperoxoic acid?
4-cyclohexyl-2,2,4-trimethylpentaneperoxoic acid has a molecular weight of 242.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2,2,4-trimethylpentaneperoxoic acid is sourced from PubChem (CID 54365598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).