1-hexyl-1-hydroperoxycyclohexane

C12H24O2 — CID 164665698

IUPAC1-hexyl-1-hydroperoxycyclohexane
SMILESCCCCCCC1(OO)CCCCC1
InChIInChI=1S/C12H24O2/c1-2-3-4-6-9-12(14-13)10-7-5-8-11-12/h13H,2-11H2,1H3
InChIKeyGJFKSFJVGSHBHN-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.15
Rot. Bonds6

About 1-hexyl-1-hydroperoxycyclohexane

1-hexyl-1-hydroperoxycyclohexane (PubChem CID 164665698) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-hexyl-1-hydroperoxycyclohexane.

Molecular Properties

Compound Name1-hexyl-1-hydroperoxycyclohexane
PubChem CID164665698
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-hexyl-1-hydroperoxycyclohexane
SMILESCCCCCCC1(OO)CCCCC1
InChIInChI=1S/C12H24O2/c1-2-3-4-6-9-12(14-13)10-7-5-8-11-12/h13H,2-11H2,1H3
InChIKeyGJFKSFJVGSHBHN-UHFFFAOYSA-N
XLogP4.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.15
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-hexyl-1-hydroperoxycyclohexane?
The IUPAC name of 1-hexyl-1-hydroperoxycyclohexane (CID 164665698) is 1-hexyl-1-hydroperoxycyclohexane.
What is the SMILES notation for 1-hexyl-1-hydroperoxycyclohexane?
The canonical SMILES for 1-hexyl-1-hydroperoxycyclohexane is CCCCCCC1(OO)CCCCC1.
What is the InChIKey of 1-hexyl-1-hydroperoxycyclohexane?
The InChIKey is GJFKSFJVGSHBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-2-3-4-6-9-12(14-13)10-7-5-8-11-12/h13H,2-11H2,1H3.
What are the key properties of 1-hexyl-1-hydroperoxycyclohexane?
1-hexyl-1-hydroperoxycyclohexane has a molecular weight of 200.32 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-1-hydroperoxycyclohexane is sourced from PubChem (CID 164665698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).