2,5-dihydroperoxy-2,5-dimethylhexane;2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane

C18H38O6 — CID 21312410

IUPAC2,5-dihydroperoxy-2,5-dimethylhexane;2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane
SMILESCC(C)(CCC(C)(C)OO)OO.CC1CCC(C(C)C)C(OO)C1
InChIInChI=1S/C10H20O2.C8H18O4/c1-7(2)9-5-4-8(3)6-10(9)12-11;1-7(2,11-9)5-6-8(3,4)12-10/h7-11H,4-6H2,1-3H3;9-10H,5-6H2,1-4H3
InChIKeyUZFHNCGUJUIPAX-UHFFFAOYSA-N
MW350.50 g/mol
LogP5.24
Rot. Bonds7

About 2,5-dihydroperoxy-2,5-dimethylhexane;2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane

2,5-dihydroperoxy-2,5-dimethylhexane;2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 21312410) has the molecular formula C18H38O6 and a molecular weight of 350.50 g/mol. Its IUPAC name is 2,5-dihydroperoxy-2,5-dimethylhexane;2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name2,5-dihydroperoxy-2,5-dimethylhexane;2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane
PubChem CID21312410
Molecular FormulaC18H38O6
Molecular Weight350.50 g/mol
Exact Mass350.27
IUPAC Name2,5-dihydroperoxy-2,5-dimethylhexane;2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane
SMILESCC(C)(CCC(C)(C)OO)OO.CC1CCC(C(C)C)C(OO)C1
InChIInChI=1S/C10H20O2.C8H18O4/c1-7(2)9-5-4-8(3)6-10(9)12-11;1-7(2,11-9)5-6-8(3,4)12-10/h7-11H,4-6H2,1-3H3;9-10H,5-6H2,1-4H3
InChIKeyUZFHNCGUJUIPAX-UHFFFAOYSA-N
XLogP5.24
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,5-dihydroperoxy-2,5-dimethylhexane;2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane with MolForge

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Launch Full Analysis

Related Compounds

trisodium;formaldehyde;hydride;bis(2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane);iron;sulfanediol
CID 173268015
1-(5-methyl-2-propan-2-ylcyclohexyl)oxyethane-1,1-diol
CID 143659959
trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane
CID 137488514
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dimethylpropanoate
CID 12738090
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-acetyl-2-methylpentanoate
CID 124768239
(1S,2R,4S)-4-methyl-1-propan-2-yl-2-propan-2-yloxycyclohexane
CID 176736545
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyboronic acid
CID 99738331
(5-methyl-2-propan-2-ylcyclohexyl)oxy-di(propan-2-yl)phosphane
CID 584302

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroperoxy-2,5-dimethylhexane;2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of 2,5-dihydroperoxy-2,5-dimethylhexane;2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane (CID 21312410) is 2,5-dihydroperoxy-2,5-dimethylhexane;2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for 2,5-dihydroperoxy-2,5-dimethylhexane;2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for 2,5-dihydroperoxy-2,5-dimethylhexane;2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane is CC(C)(CCC(C)(C)OO)OO.CC1CCC(C(C)C)C(OO)C1.
What is the InChIKey of 2,5-dihydroperoxy-2,5-dimethylhexane;2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is UZFHNCGUJUIPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C8H18O4/c1-7(2)9-5-4-8(3)6-10(9)12-11;1-7(2,11-9)5-6-8(3,4)12-10/h7-11H,4-6H2,1-3H3;9-10H,5-6H2,1-4H3.
What are the key properties of 2,5-dihydroperoxy-2,5-dimethylhexane;2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane?
2,5-dihydroperoxy-2,5-dimethylhexane;2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 350.50 g/mol, XLogP of 5.24, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroperoxy-2,5-dimethylhexane;2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 21312410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).