1,1-dimethyl-3-(methylperoxymethyl)cyclohexane

C10H20O2 — CID 163495492

IUPAC1,1-dimethyl-3-(methylperoxymethyl)cyclohexane
SMILESCOOCC1CCCC(C)(C)C1
InChIInChI=1S/C10H20O2/c1-10(2)6-4-5-9(7-10)8-12-11-3/h9H,4-8H2,1-3H3
InChIKeyCQICHLZRJPKFPH-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.78
Rot. Bonds3

About 1,1-dimethyl-3-(methylperoxymethyl)cyclohexane

1,1-dimethyl-3-(methylperoxymethyl)cyclohexane (PubChem CID 163495492) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1,1-dimethyl-3-(methylperoxymethyl)cyclohexane.

Molecular Properties

Compound Name1,1-dimethyl-3-(methylperoxymethyl)cyclohexane
PubChem CID163495492
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1,1-dimethyl-3-(methylperoxymethyl)cyclohexane
SMILESCOOCC1CCCC(C)(C)C1
InChIInChI=1S/C10H20O2/c1-10(2)6-4-5-9(7-10)8-12-11-3/h9H,4-8H2,1-3H3
InChIKeyCQICHLZRJPKFPH-UHFFFAOYSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1-dimethyl-3-(methylperoxymethyl)cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexane
CID 56980867
(3,3-dimethylcyclohexyl)methanol
CID 14034040
CID 12013874
CID 12013874
(1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 95371246
(5,5-dimethylcyclononyl)methanamine
CID 129138997
1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one
CID 57219007
1-cyclobutyl-2-[(3,3-dimethylcyclohexyl)methyl]guanidine
CID 122098227
(3,3-dimethylcyclopentyl)methyl sulfite
CID 123585539
8-[(3,3-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076763
cobalt;1,1,3-trimethylcyclohexane
CID 70372264
ethane;1,1,3-trimethylcyclohexane;(3S)-1,1,3-trimethylcyclohexane
CID 169190752
1-[5-cyclopropyl-4-[(3,3-dimethylcyclohexyl)methoxy]-2-fluorophenyl]ethanone
CID 123454134

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(methylperoxymethyl)cyclohexane?
The IUPAC name of 1,1-dimethyl-3-(methylperoxymethyl)cyclohexane (CID 163495492) is 1,1-dimethyl-3-(methylperoxymethyl)cyclohexane.
What is the SMILES notation for 1,1-dimethyl-3-(methylperoxymethyl)cyclohexane?
The canonical SMILES for 1,1-dimethyl-3-(methylperoxymethyl)cyclohexane is COOCC1CCCC(C)(C)C1.
What is the InChIKey of 1,1-dimethyl-3-(methylperoxymethyl)cyclohexane?
The InChIKey is CQICHLZRJPKFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-10(2)6-4-5-9(7-10)8-12-11-3/h9H,4-8H2,1-3H3.
What are the key properties of 1,1-dimethyl-3-(methylperoxymethyl)cyclohexane?
1,1-dimethyl-3-(methylperoxymethyl)cyclohexane has a molecular weight of 172.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(methylperoxymethyl)cyclohexane is sourced from PubChem (CID 163495492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).