hydroxy 2-butyl-2-ethyl-3,3,5,5-tetramethylhexaneperoxoate

C16H32O4 — CID 139535222

IUPAChydroxy 2-butyl-2-ethyl-3,3,5,5-tetramethylhexaneperoxoate
SMILESCCCCC(CC)(C(=O)OOO)C(C)(C)CC(C)(C)C
InChIInChI=1S/C16H32O4/c1-8-10-11-16(9-2,13(17)19-20-18)15(6,7)12-14(3,4)5/h18H,8-12H2,1-7H3
InChIKeyRVHDXLWIXIHQAV-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.98
Rot. Bonds8

About hydroxy 2-butyl-2-ethyl-3,3,5,5-tetramethylhexaneperoxoate

hydroxy 2-butyl-2-ethyl-3,3,5,5-tetramethylhexaneperoxoate (PubChem CID 139535222) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is hydroxy 2-butyl-2-ethyl-3,3,5,5-tetramethylhexaneperoxoate.

Molecular Properties

Compound Namehydroxy 2-butyl-2-ethyl-3,3,5,5-tetramethylhexaneperoxoate
PubChem CID139535222
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Namehydroxy 2-butyl-2-ethyl-3,3,5,5-tetramethylhexaneperoxoate
SMILESCCCCC(CC)(C(=O)OOO)C(C)(C)CC(C)(C)C
InChIInChI=1S/C16H32O4/c1-8-10-11-16(9-2,13(17)19-20-18)15(6,7)12-14(3,4)5/h18H,8-12H2,1-7H3
InChIKeyRVHDXLWIXIHQAV-UHFFFAOYSA-N
XLogP4.98
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze hydroxy 2-butyl-2-ethyl-3,3,5,5-tetramethylhexaneperoxoate 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-methylbutan-2-yl 2-ethyl-2-(2-methylbutan-2-yl)hexanoate
CID 174738645
methyl 2-methoxy-2-methylhexaneperoxoate
CID 174751115
methyl 2-methoxy-2-methylhexanoate
CID 91619299
2-methylhexan-2-yloxy hydrogen carbonate
CID 87195122
2,2-dimethyloctane-4,4-diol
CID 141002541
dimethyl 2-butyl-2,4,4-trimethylpentanedioate
CID 18710794
1-(5-methylnonan-5-yloxy)ethane-1,1-diol
CID 54213757
2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol
CID 156689440
2,2-bis(2,4,4-trimethylpentan-2-yl)hexanediperoxoic acid
CID 18172288
bis(2-methylpropyl) 2-butyl-2,3-diethyl-3-propan-2-ylbutanedioate
CID 175261720
acetyl 2-chloro-2-ethylhexaneperoxoate
CID 20558305
ethyl 2,2-dichlorohexanoate
CID 24975968

Frequently Asked Questions

What is the IUPAC name of hydroxy 2-butyl-2-ethyl-3,3,5,5-tetramethylhexaneperoxoate?
The IUPAC name of hydroxy 2-butyl-2-ethyl-3,3,5,5-tetramethylhexaneperoxoate (CID 139535222) is hydroxy 2-butyl-2-ethyl-3,3,5,5-tetramethylhexaneperoxoate.
What is the SMILES notation for hydroxy 2-butyl-2-ethyl-3,3,5,5-tetramethylhexaneperoxoate?
The canonical SMILES for hydroxy 2-butyl-2-ethyl-3,3,5,5-tetramethylhexaneperoxoate is CCCCC(CC)(C(=O)OOO)C(C)(C)CC(C)(C)C.
What is the InChIKey of hydroxy 2-butyl-2-ethyl-3,3,5,5-tetramethylhexaneperoxoate?
The InChIKey is RVHDXLWIXIHQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4/c1-8-10-11-16(9-2,13(17)19-20-18)15(6,7)12-14(3,4)5/h18H,8-12H2,1-7H3.
What are the key properties of hydroxy 2-butyl-2-ethyl-3,3,5,5-tetramethylhexaneperoxoate?
hydroxy 2-butyl-2-ethyl-3,3,5,5-tetramethylhexaneperoxoate has a molecular weight of 288.43 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy 2-butyl-2-ethyl-3,3,5,5-tetramethylhexaneperoxoate is sourced from PubChem (CID 139535222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).