butylperoxybenzene

C10H14O2 — CID 23001873

IUPACbutylperoxybenzene
SMILESCCCCOOc1ccccc1
InChIInChI=1S/C10H14O2/c1-2-3-9-11-12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyCSEOKUWOPYQGAF-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.80
Rot. Bonds5

About butylperoxybenzene

butylperoxybenzene (PubChem CID 23001873) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is butylperoxybenzene.

Molecular Properties

Compound Namebutylperoxybenzene
PubChem CID23001873
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Namebutylperoxybenzene
SMILESCCCCOOc1ccccc1
InChIInChI=1S/C10H14O2/c1-2-3-9-11-12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyCSEOKUWOPYQGAF-UHFFFAOYSA-N
XLogP2.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phenolate Sodium
CID 4445035
Hydron phenoxide
CID 20488062
Dibutyl phenyl phosphate
CID 17312
Methyl diphenyl phosphate
CID 8291
Phenyl Methanesulfonate
CID 316170
5,5-Dimethyl-2-phenoxy-1,3,2-dioxaphosphinane
CID 76464
Phenyl vinyl ether
CID 69840
Dietholate
CID 36106
Didecyl phenyl phosphite
CID 14741
O-Phenylhydroxylamine
CID 2794249
Trimethylphenoxysilane
CID 73720
Potassium phenoxide
CID 23670670

Frequently Asked Questions

What is the IUPAC name of butylperoxybenzene?
The IUPAC name of butylperoxybenzene (CID 23001873) is butylperoxybenzene.
What is the SMILES notation for butylperoxybenzene?
The canonical SMILES for butylperoxybenzene is CCCCOOc1ccccc1.
What is the InChIKey of butylperoxybenzene?
The InChIKey is CSEOKUWOPYQGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-3-9-11-12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3.
What are the key properties of butylperoxybenzene?
butylperoxybenzene has a molecular weight of 166.22 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butylperoxybenzene is sourced from PubChem (CID 23001873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).