2-cyclohexylpropan-2-yl 2-ethylhexaneperoxoate

C17H32O3 — CID 71344963

IUPAC2-cyclohexylpropan-2-yl 2-ethylhexaneperoxoate
SMILESCCCCC(CC)C(=O)OOC(C)(C)C1CCCCC1
InChIInChI=1S/C17H32O3/c1-5-7-11-14(6-2)16(18)19-20-17(3,4)15-12-9-8-10-13-15/h14-15H,5-13H2,1-4H3
InChIKeyBUSKRSHODCIGRT-UHFFFAOYSA-N
MW284.44 g/mol
LogP5.04
Rot. Bonds8

About 2-cyclohexylpropan-2-yl 2-ethylhexaneperoxoate

2-cyclohexylpropan-2-yl 2-ethylhexaneperoxoate (PubChem CID 71344963) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-cyclohexylpropan-2-yl 2-ethylhexaneperoxoate.

Molecular Properties

Compound Name2-cyclohexylpropan-2-yl 2-ethylhexaneperoxoate
PubChem CID71344963
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name2-cyclohexylpropan-2-yl 2-ethylhexaneperoxoate
SMILESCCCCC(CC)C(=O)OOC(C)(C)C1CCCCC1
InChIInChI=1S/C17H32O3/c1-5-7-11-14(6-2)16(18)19-20-17(3,4)15-12-9-8-10-13-15/h14-15H,5-13H2,1-4H3
InChIKeyBUSKRSHODCIGRT-UHFFFAOYSA-N
XLogP5.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.44
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclohexylpropan-2-yl 2-ethylhexaneperoxoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-cyclohexylpropan-2-ylperoxy)ethyl]hexanoic acid
CID 87921322
(2-hydroxy-4-methylpentan-2-yl) 2-ethylhexaneperoxoate
CID 139926955
1-cycloheptyloxy-3-ethylheptan-2-one
CID 134575358
butyl (2S)-2-ethylhexaneperoxoate
CID 94864454
N-cyclooctyl-2-ethylhexanamide
CID 3989939
CID 16684285
CID 16684285
[2-(2-hydroperoxy-3-methylpentan-2-yl)peroxy-3-methylpentan-2-yl] 2-ethylhexaneperoxoate
CID 11143682
5-(2-ethylhexanoylperoxy)hexan-2-yl 2-ethylhexaneperoxoate
CID 57193708
2,2-dimethylpropyl 2-ethylhexanoate
CID 22213615
2,2-dimethylpropanoyl 2-ethylhexanoate
CID 57098053
N-cyclopentyl-2-ethylhexanamide
CID 4146053
(4-carbonochloridoyloxy-2-methylpentan-2-yl) 2-ethylhexaneperoxoate
CID 54132789

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpropan-2-yl 2-ethylhexaneperoxoate?
The IUPAC name of 2-cyclohexylpropan-2-yl 2-ethylhexaneperoxoate (CID 71344963) is 2-cyclohexylpropan-2-yl 2-ethylhexaneperoxoate.
What is the SMILES notation for 2-cyclohexylpropan-2-yl 2-ethylhexaneperoxoate?
The canonical SMILES for 2-cyclohexylpropan-2-yl 2-ethylhexaneperoxoate is CCCCC(CC)C(=O)OOC(C)(C)C1CCCCC1.
What is the InChIKey of 2-cyclohexylpropan-2-yl 2-ethylhexaneperoxoate?
The InChIKey is BUSKRSHODCIGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-5-7-11-14(6-2)16(18)19-20-17(3,4)15-12-9-8-10-13-15/h14-15H,5-13H2,1-4H3.
What are the key properties of 2-cyclohexylpropan-2-yl 2-ethylhexaneperoxoate?
2-cyclohexylpropan-2-yl 2-ethylhexaneperoxoate has a molecular weight of 284.44 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpropan-2-yl 2-ethylhexaneperoxoate is sourced from PubChem (CID 71344963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).