1-cyclohexyl-1-(1-cyclohexyl-2-oxopropyl)peroxypropan-2-one

C18H30O4 — CID 175017148

IUPAC1-cyclohexyl-1-(1-cyclohexyl-2-oxopropyl)peroxypropan-2-one
SMILESCC(=O)C(OOC(C(C)=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H30O4/c1-13(19)17(15-9-5-3-6-10-15)21-22-18(14(2)20)16-11-7-4-8-12-16/h15-18H,3-12H2,1-2H3
InChIKeyGAYKBQSMSMYTCY-UHFFFAOYSA-N
MW310.43 g/mol
LogP4.01
Rot. Bonds7

About 1-cyclohexyl-1-(1-cyclohexyl-2-oxopropyl)peroxypropan-2-one

1-cyclohexyl-1-(1-cyclohexyl-2-oxopropyl)peroxypropan-2-one (PubChem CID 175017148) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is 1-cyclohexyl-1-(1-cyclohexyl-2-oxopropyl)peroxypropan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-1-(1-cyclohexyl-2-oxopropyl)peroxypropan-2-one
PubChem CID175017148
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name1-cyclohexyl-1-(1-cyclohexyl-2-oxopropyl)peroxypropan-2-one
SMILESCC(=O)C(OOC(C(C)=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H30O4/c1-13(19)17(15-9-5-3-6-10-15)21-22-18(14(2)20)16-11-7-4-8-12-16/h15-18H,3-12H2,1-2H3
InChIKeyGAYKBQSMSMYTCY-UHFFFAOYSA-N
XLogP4.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.01
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(1-cyclohexyl-2-oxopropyl)peroxypropan-2-one?
The IUPAC name of 1-cyclohexyl-1-(1-cyclohexyl-2-oxopropyl)peroxypropan-2-one (CID 175017148) is 1-cyclohexyl-1-(1-cyclohexyl-2-oxopropyl)peroxypropan-2-one.
What is the SMILES notation for 1-cyclohexyl-1-(1-cyclohexyl-2-oxopropyl)peroxypropan-2-one?
The canonical SMILES for 1-cyclohexyl-1-(1-cyclohexyl-2-oxopropyl)peroxypropan-2-one is CC(=O)C(OOC(C(C)=O)C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-(1-cyclohexyl-2-oxopropyl)peroxypropan-2-one?
The InChIKey is GAYKBQSMSMYTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4/c1-13(19)17(15-9-5-3-6-10-15)21-22-18(14(2)20)16-11-7-4-8-12-16/h15-18H,3-12H2,1-2H3.
What are the key properties of 1-cyclohexyl-1-(1-cyclohexyl-2-oxopropyl)peroxypropan-2-one?
1-cyclohexyl-1-(1-cyclohexyl-2-oxopropyl)peroxypropan-2-one has a molecular weight of 310.43 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(1-cyclohexyl-2-oxopropyl)peroxypropan-2-one is sourced from PubChem (CID 175017148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).