1-cyclohexyl-2-methyl-2-[(4-propylperoxycyclohexyl)methylperoxy]propan-1-one

C20H36O5 — CID 153314266

IUPAC1-cyclohexyl-2-methyl-2-[(4-propylperoxycyclohexyl)methylperoxy]propan-1-one
SMILESCCCOOC1CCC(COOC(C)(C)C(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H36O5/c1-4-14-22-24-18-12-10-16(11-13-18)15-23-25-20(2,3)19(21)17-8-6-5-7-9-17/h16-18H,4-15H2,1-3H3
InChIKeyODYSAABEMJKAPT-UHFFFAOYSA-N
MW356.50 g/mol
LogP4.78
Rot. Bonds10

About 1-cyclohexyl-2-methyl-2-[(4-propylperoxycyclohexyl)methylperoxy]propan-1-one

1-cyclohexyl-2-methyl-2-[(4-propylperoxycyclohexyl)methylperoxy]propan-1-one (PubChem CID 153314266) has the molecular formula C20H36O5 and a molecular weight of 356.50 g/mol. Its IUPAC name is 1-cyclohexyl-2-methyl-2-[(4-propylperoxycyclohexyl)methylperoxy]propan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-2-methyl-2-[(4-propylperoxycyclohexyl)methylperoxy]propan-1-one
PubChem CID153314266
Molecular FormulaC20H36O5
Molecular Weight356.50 g/mol
Exact Mass356.26
IUPAC Name1-cyclohexyl-2-methyl-2-[(4-propylperoxycyclohexyl)methylperoxy]propan-1-one
SMILESCCCOOC1CCC(COOC(C)(C)C(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H36O5/c1-4-14-22-24-18-12-10-16(11-13-18)15-23-25-20(2,3)19(21)17-8-6-5-7-9-17/h16-18H,4-15H2,1-3H3
InChIKeyODYSAABEMJKAPT-UHFFFAOYSA-N
XLogP4.78
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-cyclohexyl-2-methyl-2-[(4-propylperoxycyclohexyl)methylperoxy]propan-1-one?
The IUPAC name of 1-cyclohexyl-2-methyl-2-[(4-propylperoxycyclohexyl)methylperoxy]propan-1-one (CID 153314266) is 1-cyclohexyl-2-methyl-2-[(4-propylperoxycyclohexyl)methylperoxy]propan-1-one.
What is the SMILES notation for 1-cyclohexyl-2-methyl-2-[(4-propylperoxycyclohexyl)methylperoxy]propan-1-one?
The canonical SMILES for 1-cyclohexyl-2-methyl-2-[(4-propylperoxycyclohexyl)methylperoxy]propan-1-one is CCCOOC1CCC(COOC(C)(C)C(=O)C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-2-methyl-2-[(4-propylperoxycyclohexyl)methylperoxy]propan-1-one?
The InChIKey is ODYSAABEMJKAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O5/c1-4-14-22-24-18-12-10-16(11-13-18)15-23-25-20(2,3)19(21)17-8-6-5-7-9-17/h16-18H,4-15H2,1-3H3.
What are the key properties of 1-cyclohexyl-2-methyl-2-[(4-propylperoxycyclohexyl)methylperoxy]propan-1-one?
1-cyclohexyl-2-methyl-2-[(4-propylperoxycyclohexyl)methylperoxy]propan-1-one has a molecular weight of 356.50 g/mol, XLogP of 4.78, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methyl-2-[(4-propylperoxycyclohexyl)methylperoxy]propan-1-one is sourced from PubChem (CID 153314266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).