2-hydroperoxy-1,4-dimethylcyclohexane

C8H16O2 — CID 118983567

IUPAC2-hydroperoxy-1,4-dimethylcyclohexane
SMILESCC1CCC(C)C(OO)C1
InChIInChI=1S/C8H16O2/c1-6-3-4-7(2)8(5-6)10-9/h6-9H,3-5H2,1-2H3
InChIKeyKVCBXLDLVKKOFT-UHFFFAOYSA-N
MW144.21 g/mol
LogP2.30
Rot. Bonds1

About 2-hydroperoxy-1,4-dimethylcyclohexane

2-hydroperoxy-1,4-dimethylcyclohexane (PubChem CID 118983567) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-hydroperoxy-1,4-dimethylcyclohexane.

Molecular Properties

Compound Name2-hydroperoxy-1,4-dimethylcyclohexane
PubChem CID118983567
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-hydroperoxy-1,4-dimethylcyclohexane
SMILESCC1CCC(C)C(OO)C1
InChIInChI=1S/C8H16O2/c1-6-3-4-7(2)8(5-6)10-9/h6-9H,3-5H2,1-2H3
InChIKeyKVCBXLDLVKKOFT-UHFFFAOYSA-N
XLogP2.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(1R,2R,4S)-2-methoxy-1,4-dimethylcyclohexane
CID 167287660
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
4-(2,5-dimethylcyclohexyl)oxy-4-oxobutanoic acid
CID 135170741
(2S)-3-(2,5-dimethylcyclohexyl)oxybut-3-en-2-ol;propane
CID 144946376
potassium 2,5-dimethylcyclohexan-1-ol
CID 18764424
lithium 2,5-dimethylcyclohexan-1-ol
CID 18764144
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053
1,2,4,7-tetramethylcyclononane
CID 123661715
2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane
CID 91483098
trisodium;formaldehyde;hydride;bis(2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane);iron;sulfanediol
CID 173268015
2,5-dihydroperoxy-2,5-dimethylhexane;2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane
CID 21312410

Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxy-1,4-dimethylcyclohexane?
The IUPAC name of 2-hydroperoxy-1,4-dimethylcyclohexane (CID 118983567) is 2-hydroperoxy-1,4-dimethylcyclohexane.
What is the SMILES notation for 2-hydroperoxy-1,4-dimethylcyclohexane?
The canonical SMILES for 2-hydroperoxy-1,4-dimethylcyclohexane is CC1CCC(C)C(OO)C1.
What is the InChIKey of 2-hydroperoxy-1,4-dimethylcyclohexane?
The InChIKey is KVCBXLDLVKKOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-6-3-4-7(2)8(5-6)10-9/h6-9H,3-5H2,1-2H3.
What are the key properties of 2-hydroperoxy-1,4-dimethylcyclohexane?
2-hydroperoxy-1,4-dimethylcyclohexane has a molecular weight of 144.21 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxy-1,4-dimethylcyclohexane is sourced from PubChem (CID 118983567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).