1-butyl-1-hydroperoxycyclohexane

C10H20O2 — CID 18362273

IUPAC1-butyl-1-hydroperoxycyclohexane
SMILESCCCCC1(OO)CCCCC1
InChIInChI=1S/C10H20O2/c1-2-3-7-10(12-11)8-5-4-6-9-10/h11H,2-9H2,1H3
InChIKeyWUHRHAGYUHXEPE-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.37
Rot. Bonds4

About 1-butyl-1-hydroperoxycyclohexane

1-butyl-1-hydroperoxycyclohexane (PubChem CID 18362273) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-butyl-1-hydroperoxycyclohexane.

Molecular Properties

Compound Name1-butyl-1-hydroperoxycyclohexane
PubChem CID18362273
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-butyl-1-hydroperoxycyclohexane
SMILESCCCCC1(OO)CCCCC1
InChIInChI=1S/C10H20O2/c1-2-3-7-10(12-11)8-5-4-6-9-10/h11H,2-9H2,1H3
InChIKeyWUHRHAGYUHXEPE-UHFFFAOYSA-N
XLogP3.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1-butylcyclohexyl)oxyethanol
CID 141443890
(1-butylcyclohexyl)oxymethyl hypobromite
CID 134895111
3-butyl-3-hydroperoxycyclohexan-1-one
CID 11412795
1-butyl-1-(2-methoxyethoxymethoxy)cyclohexane
CID 13180892
(1-butylcyclopentyl)oxy-fluorophosphinic acid
CID 150124929
bis(1-pentylcyclohexyl) butanedioate
CID 174843513
3-hexyl-3-hydroperoxycyclohexan-1-one
CID 100966066
1-butyl-1-(1-butylcyclohexyl)cyclohexane
CID 173069670
(1-pentylcyclohexyl) butanoate
CID 101311537
1-ethoxy-1-propylcyclohexane
CID 154221474
(1-butylcyclopentyl) 2-methylbutanoate
CID 58776787
[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoroacetate
CID 58225766

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-hydroperoxycyclohexane?
The IUPAC name of 1-butyl-1-hydroperoxycyclohexane (CID 18362273) is 1-butyl-1-hydroperoxycyclohexane.
What is the SMILES notation for 1-butyl-1-hydroperoxycyclohexane?
The canonical SMILES for 1-butyl-1-hydroperoxycyclohexane is CCCCC1(OO)CCCCC1.
What is the InChIKey of 1-butyl-1-hydroperoxycyclohexane?
The InChIKey is WUHRHAGYUHXEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-3-7-10(12-11)8-5-4-6-9-10/h11H,2-9H2,1H3.
What are the key properties of 1-butyl-1-hydroperoxycyclohexane?
1-butyl-1-hydroperoxycyclohexane has a molecular weight of 172.27 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-hydroperoxycyclohexane is sourced from PubChem (CID 18362273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).