2-[[2-(hydroperoxymethyl)cyclohexyl]methylperoxy]propyl prop-2-enoate

C14H24O6 — CID 20675751

IUPAC2-[[2-(hydroperoxymethyl)cyclohexyl]methylperoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCC(C)OOCC1CCCCC1COO
InChIInChI=1S/C14H24O6/c1-3-14(15)17-8-11(2)20-19-10-13-7-5-4-6-12(13)9-18-16/h3,11-13,16H,1,4-10H2,2H3
InChIKeyHXDICEHARBWRIH-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.35
Rot. Bonds9

About 2-[[2-(hydroperoxymethyl)cyclohexyl]methylperoxy]propyl prop-2-enoate

2-[[2-(hydroperoxymethyl)cyclohexyl]methylperoxy]propyl prop-2-enoate (PubChem CID 20675751) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[[2-(hydroperoxymethyl)cyclohexyl]methylperoxy]propyl prop-2-enoate.

Molecular Properties

Compound Name2-[[2-(hydroperoxymethyl)cyclohexyl]methylperoxy]propyl prop-2-enoate
PubChem CID20675751
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name2-[[2-(hydroperoxymethyl)cyclohexyl]methylperoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCC(C)OOCC1CCCCC1COO
InChIInChI=1S/C14H24O6/c1-3-14(15)17-8-11(2)20-19-10-13-7-5-4-6-12(13)9-18-16/h3,11-13,16H,1,4-10H2,2H3
InChIKeyHXDICEHARBWRIH-UHFFFAOYSA-N
XLogP2.35
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-prop-2-enylperoxypropyl prop-2-enoate
CID 89014347
[(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate
CID 139420667
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propyl prop-2-enoate
CID 21458421
2-hydroxypropyl prop-2-enoate;2-methyloxirane
CID 87793859
2,2-dicyclohexyloxyethyl prop-2-enoate
CID 57291366
2-butoxyethyl prop-2-enoate;2-hydroxypropyl prop-2-enoate
CID 88684060
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 139889526
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 121420632
2,4-dimethylpent-3-enyl prop-2-enoate
CID 174401913
2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate
CID 151533065
2-(2-hydroperoxypropoxy)ethyl prop-2-enoate
CID 118433563

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroperoxymethyl)cyclohexyl]methylperoxy]propyl prop-2-enoate?
The IUPAC name of 2-[[2-(hydroperoxymethyl)cyclohexyl]methylperoxy]propyl prop-2-enoate (CID 20675751) is 2-[[2-(hydroperoxymethyl)cyclohexyl]methylperoxy]propyl prop-2-enoate.
What is the SMILES notation for 2-[[2-(hydroperoxymethyl)cyclohexyl]methylperoxy]propyl prop-2-enoate?
The canonical SMILES for 2-[[2-(hydroperoxymethyl)cyclohexyl]methylperoxy]propyl prop-2-enoate is C=CC(=O)OCC(C)OOCC1CCCCC1COO.
What is the InChIKey of 2-[[2-(hydroperoxymethyl)cyclohexyl]methylperoxy]propyl prop-2-enoate?
The InChIKey is HXDICEHARBWRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-3-14(15)17-8-11(2)20-19-10-13-7-5-4-6-12(13)9-18-16/h3,11-13,16H,1,4-10H2,2H3.
What are the key properties of 2-[[2-(hydroperoxymethyl)cyclohexyl]methylperoxy]propyl prop-2-enoate?
2-[[2-(hydroperoxymethyl)cyclohexyl]methylperoxy]propyl prop-2-enoate has a molecular weight of 288.34 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroperoxymethyl)cyclohexyl]methylperoxy]propyl prop-2-enoate is sourced from PubChem (CID 20675751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).