1-ethyl-2-hydroperoxycyclohexane

C8H16O2 — CID 175085860

IUPAC1-ethyl-2-hydroperoxycyclohexane
SMILESCCC1CCCCC1OO
InChIInChI=1S/C8H16O2/c1-2-7-5-3-4-6-8(7)10-9/h7-9H,2-6H2,1H3
InChIKeyBDZOVXBZVDIECJ-UHFFFAOYSA-N
MW144.21 g/mol
LogP2.44
Rot. Bonds2

About 1-ethyl-2-hydroperoxycyclohexane

1-ethyl-2-hydroperoxycyclohexane (PubChem CID 175085860) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-ethyl-2-hydroperoxycyclohexane.

Molecular Properties

Compound Name1-ethyl-2-hydroperoxycyclohexane
PubChem CID175085860
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-ethyl-2-hydroperoxycyclohexane
SMILESCCC1CCCCC1OO
InChIInChI=1S/C8H16O2/c1-2-7-5-3-4-6-8(7)10-9/h7-9H,2-6H2,1H3
InChIKeyBDZOVXBZVDIECJ-UHFFFAOYSA-N
XLogP2.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 52.44
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

CID 160611346
CID 160611346
2-(2-ethylcyclohexyl)oxycycloheptan-1-amine
CID 60725474
1-bromo-2-(2-ethylcyclohexyl)oxycyclohexane
CID 63470245
(2-ethylcyclohexyl) 2-aminopropanoate
CID 61277036
1-cyclopentyl-2-(2-ethylcyclohexyl)oxyethanone
CID 104751673
1-bromo-2-(2-ethylcyclohexyl)oxycyclooctane
CID 114772757
2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentan-1-ol
CID 79563747
ethyl 2-(2-ethylcyclohexyl)oxyacetate
CID 43119660
2-[(2-ethylcyclohexyl)oxymethyl]prop-2-ene-1-thiol
CID 103073679
(2-ethylcyclohexyl) 3-sulfanylpropanoate
CID 107018376
1-[(2-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine
CID 64574195
1-(3-bromopropoxy)-2-ethylcyclohexane
CID 43135438

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-hydroperoxycyclohexane?
The IUPAC name of 1-ethyl-2-hydroperoxycyclohexane (CID 175085860) is 1-ethyl-2-hydroperoxycyclohexane.
What is the SMILES notation for 1-ethyl-2-hydroperoxycyclohexane?
The canonical SMILES for 1-ethyl-2-hydroperoxycyclohexane is CCC1CCCCC1OO.
What is the InChIKey of 1-ethyl-2-hydroperoxycyclohexane?
The InChIKey is BDZOVXBZVDIECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-7-5-3-4-6-8(7)10-9/h7-9H,2-6H2,1H3.
What are the key properties of 1-ethyl-2-hydroperoxycyclohexane?
1-ethyl-2-hydroperoxycyclohexane has a molecular weight of 144.21 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-hydroperoxycyclohexane is sourced from PubChem (CID 175085860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).