1-(hydroperoxymethyl)-1-methylcyclobutane

C6H12O2 — CID 59956938

IUPAC1-(hydroperoxymethyl)-1-methylcyclobutane
SMILESCC1(COO)CCC1
InChIInChI=1S/C6H12O2/c1-6(5-8-7)3-2-4-6/h7H,2-5H2,1H3
InChIKeyBNYYBJNKOAEFBE-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.67
Rot. Bonds2

About 1-(hydroperoxymethyl)-1-methylcyclobutane

1-(hydroperoxymethyl)-1-methylcyclobutane (PubChem CID 59956938) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 1-(hydroperoxymethyl)-1-methylcyclobutane.

Molecular Properties

Compound Name1-(hydroperoxymethyl)-1-methylcyclobutane
PubChem CID59956938
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name1-(hydroperoxymethyl)-1-methylcyclobutane
SMILESCC1(COO)CCC1
InChIInChI=1S/C6H12O2/c1-6(5-8-7)3-2-4-6/h7H,2-5H2,1H3
InChIKeyBNYYBJNKOAEFBE-UHFFFAOYSA-N
XLogP1.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.67
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

cis-(1R,3R)-3-(hydroperoxymethyl)-1,2,2,3-tetramethylcyclopentan-1-amine
CID 130315419
2-methoxy-N-[(1-methylcyclobutyl)methyl]acetamide
CID 103737380
(1-methylcyclododecyl)methanol
CID 70130772
4-[(1-methylcyclobutyl)methoxy]cyclohexan-1-one
CID 130601097
1-cyclopentyl-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822365
(1,3,3-trimethylcyclohexyl)methyl formate
CID 57483275
1-(cyclohexylmethoxymethyl)-1-methylcyclohexane
CID 135133605
ethane;1-ethenyl-1-methylcyclopentane;1-(methoxymethyl)-1-methylcyclopentane
CID 143788667
3-methyl-5-[(1-methylcyclobutyl)methoxy]-1,2,4-oxadiazole
CID 126987996
2-(1-methylcyclobutyl)ethanamine;hydrochloride
CID 55284653
1-[[(1-methylcyclopentyl)methylamino]methyl]cyclopentan-1-ol
CID 65211055
methyl 4-[2-(1-methylcyclopentyl)ethylamino]-4-oxobutanoate
CID 23384179

Frequently Asked Questions

What is the IUPAC name of 1-(hydroperoxymethyl)-1-methylcyclobutane?
The IUPAC name of 1-(hydroperoxymethyl)-1-methylcyclobutane (CID 59956938) is 1-(hydroperoxymethyl)-1-methylcyclobutane.
What is the SMILES notation for 1-(hydroperoxymethyl)-1-methylcyclobutane?
The canonical SMILES for 1-(hydroperoxymethyl)-1-methylcyclobutane is CC1(COO)CCC1.
What is the InChIKey of 1-(hydroperoxymethyl)-1-methylcyclobutane?
The InChIKey is BNYYBJNKOAEFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-6(5-8-7)3-2-4-6/h7H,2-5H2,1H3.
What are the key properties of 1-(hydroperoxymethyl)-1-methylcyclobutane?
1-(hydroperoxymethyl)-1-methylcyclobutane has a molecular weight of 116.16 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroperoxymethyl)-1-methylcyclobutane is sourced from PubChem (CID 59956938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).