1-cyclohexyl-2-[(4-methoxycyclohexyl)methylperoxy]-2-methylpropan-1-one

C18H32O4 — CID 153314263

IUPAC1-cyclohexyl-2-[(4-methoxycyclohexyl)methylperoxy]-2-methylpropan-1-one
SMILESCOC1CCC(COOC(C)(C)C(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H32O4/c1-18(2,17(19)15-7-5-4-6-8-15)22-21-13-14-9-11-16(20-3)12-10-14/h14-16H,4-13H2,1-3H3
InChIKeyFFMFTQRXJSWPOO-UHFFFAOYSA-N
MW312.45 g/mol
LogP4.07
Rot. Bonds7

About 1-cyclohexyl-2-[(4-methoxycyclohexyl)methylperoxy]-2-methylpropan-1-one

1-cyclohexyl-2-[(4-methoxycyclohexyl)methylperoxy]-2-methylpropan-1-one (PubChem CID 153314263) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(4-methoxycyclohexyl)methylperoxy]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-2-[(4-methoxycyclohexyl)methylperoxy]-2-methylpropan-1-one
PubChem CID153314263
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name1-cyclohexyl-2-[(4-methoxycyclohexyl)methylperoxy]-2-methylpropan-1-one
SMILESCOC1CCC(COOC(C)(C)C(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H32O4/c1-18(2,17(19)15-7-5-4-6-8-15)22-21-13-14-9-11-16(20-3)12-10-14/h14-16H,4-13H2,1-3H3
InChIKeyFFMFTQRXJSWPOO-UHFFFAOYSA-N
XLogP4.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-[4-[10-[4-(Methoxymethyl)cyclohexyl]oxydecoxy]cyclohexyl]ethanone
CID 140421338
1-[4-[6-[4-(Methoxymethyl)cyclohexyl]oxyhexoxy]cyclohexyl]ethanone
CID 140421346
1-[4-[4-[4-(Methoxymethyl)cyclohexyl]oxybutoxy]cyclohexyl]ethanone
CID 140421347
1-Cyclohexyl-2-methyl-2-[(4-propylperoxycyclohexyl)methylperoxy]propan-1-one
CID 153314266
1-(1-Cyclohexylperoxycyclohexyl)dodecan-1-one
CID 169087042
1-Cyclohexyl-1-(1-cyclohexyl-2-oxopropyl)peroxypropan-2-one
CID 175017148
(1-Ethoxy-4-methylcyclohexyl)-(4-ethylcyclohexyl)methanone
CID 116749473

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(4-methoxycyclohexyl)methylperoxy]-2-methylpropan-1-one?
The IUPAC name of 1-cyclohexyl-2-[(4-methoxycyclohexyl)methylperoxy]-2-methylpropan-1-one (CID 153314263) is 1-cyclohexyl-2-[(4-methoxycyclohexyl)methylperoxy]-2-methylpropan-1-one.
What is the SMILES notation for 1-cyclohexyl-2-[(4-methoxycyclohexyl)methylperoxy]-2-methylpropan-1-one?
The canonical SMILES for 1-cyclohexyl-2-[(4-methoxycyclohexyl)methylperoxy]-2-methylpropan-1-one is COC1CCC(COOC(C)(C)C(=O)C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-2-[(4-methoxycyclohexyl)methylperoxy]-2-methylpropan-1-one?
The InChIKey is FFMFTQRXJSWPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4/c1-18(2,17(19)15-7-5-4-6-8-15)22-21-13-14-9-11-16(20-3)12-10-14/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-cyclohexyl-2-[(4-methoxycyclohexyl)methylperoxy]-2-methylpropan-1-one?
1-cyclohexyl-2-[(4-methoxycyclohexyl)methylperoxy]-2-methylpropan-1-one has a molecular weight of 312.45 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(4-methoxycyclohexyl)methylperoxy]-2-methylpropan-1-one is sourced from PubChem (CID 153314263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).