2-(1-hydroperoxypropylperoxy)propan-2-ylcyclohexane

C12H24O4 — CID 12509415

IUPAC2-(1-hydroperoxypropylperoxy)propan-2-ylcyclohexane
SMILESCCC(OO)OOC(C)(C)C1CCCCC1
InChIInChI=1S/C12H24O4/c1-4-11(14-13)15-16-12(2,3)10-8-6-5-7-9-10/h10-11,13H,4-9H2,1-3H3
InChIKeyRJZGVJNLXNCYPS-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.52
Rot. Bonds6

About 2-(1-hydroperoxypropylperoxy)propan-2-ylcyclohexane

2-(1-hydroperoxypropylperoxy)propan-2-ylcyclohexane (PubChem CID 12509415) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(1-hydroperoxypropylperoxy)propan-2-ylcyclohexane.

Molecular Properties

Compound Name2-(1-hydroperoxypropylperoxy)propan-2-ylcyclohexane
PubChem CID12509415
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2-(1-hydroperoxypropylperoxy)propan-2-ylcyclohexane
SMILESCCC(OO)OOC(C)(C)C1CCCCC1
InChIInChI=1S/C12H24O4/c1-4-11(14-13)15-16-12(2,3)10-8-6-5-7-9-10/h10-11,13H,4-9H2,1-3H3
InChIKeyRJZGVJNLXNCYPS-UHFFFAOYSA-N
XLogP3.52
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-propan-2-ylperoxypropan-2-ylcyclohexane
CID 54182101
2-[1-(2-cyclohexylpropan-2-ylperoxy)ethyl]hexanoic acid
CID 87921322
1-(2-cyclohexylpropan-2-ylperoxy)-7,7-dimethyloctan-1-ol
CID 142684694
2-cyclohexylpropan-2-yl 2-butan-2-yl-2,4,4-trimethylpentanoate
CID 123182543
2-cyclohexylpropan-2-yl 2-ethylhexaneperoxoate
CID 71344963
2-cyclohexylpropan-2-yl hydroxy carbonate
CID 23207841
2-cyclohexylpropan-2-yl 2-ethyl-2,4,4-trimethylpentanoate
CID 144518122
2-cyclohexyl-4-ethylhexan-2-ol
CID 114794849
4-cycloheptyl-4-methylpentan-2-ol
CID 82923694
(1,1,1-trifluoro-3-hydroperoxy-2,4,4-trimethylhexan-2-yl)cyclohexane
CID 129087822
2-cyclohexylpropan-2-yl 2-tert-butyl-2-methylpentanoate
CID 123782316
3-(2-cyclohexylpropan-2-yloxy)-2-methyl-3-oxopropanoic acid
CID 170442794

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroperoxypropylperoxy)propan-2-ylcyclohexane?
The IUPAC name of 2-(1-hydroperoxypropylperoxy)propan-2-ylcyclohexane (CID 12509415) is 2-(1-hydroperoxypropylperoxy)propan-2-ylcyclohexane.
What is the SMILES notation for 2-(1-hydroperoxypropylperoxy)propan-2-ylcyclohexane?
The canonical SMILES for 2-(1-hydroperoxypropylperoxy)propan-2-ylcyclohexane is CCC(OO)OOC(C)(C)C1CCCCC1.
What is the InChIKey of 2-(1-hydroperoxypropylperoxy)propan-2-ylcyclohexane?
The InChIKey is RJZGVJNLXNCYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-4-11(14-13)15-16-12(2,3)10-8-6-5-7-9-10/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2-(1-hydroperoxypropylperoxy)propan-2-ylcyclohexane?
2-(1-hydroperoxypropylperoxy)propan-2-ylcyclohexane has a molecular weight of 232.32 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroperoxypropylperoxy)propan-2-ylcyclohexane is sourced from PubChem (CID 12509415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).