2,2-dimethyl-3-(methylperoxymethyl)cyclopropane-1-carbaldehyde

C8H14O3 — CID 23393208

IUPAC2,2-dimethyl-3-(methylperoxymethyl)cyclopropane-1-carbaldehyde
SMILESCOOCC1C(C=O)C1(C)C
InChIInChI=1S/C8H14O3/c1-8(2)6(4-9)7(8)5-11-10-3/h4,6-7H,5H2,1-3H3
InChIKeyGOEIXFYAILHTLI-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.04
Rot. Bonds4

About 2,2-dimethyl-3-(methylperoxymethyl)cyclopropane-1-carbaldehyde

2,2-dimethyl-3-(methylperoxymethyl)cyclopropane-1-carbaldehyde (PubChem CID 23393208) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2,2-dimethyl-3-(methylperoxymethyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name2,2-dimethyl-3-(methylperoxymethyl)cyclopropane-1-carbaldehyde
PubChem CID23393208
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2,2-dimethyl-3-(methylperoxymethyl)cyclopropane-1-carbaldehyde
SMILESCOOCC1C(C=O)C1(C)C
InChIInChI=1S/C8H14O3/c1-8(2)6(4-9)7(8)5-11-10-3/h4,6-7H,5H2,1-3H3
InChIKeyGOEIXFYAILHTLI-UHFFFAOYSA-N
XLogP1.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,3S)-3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carbaldehyde
CID 13457402
2-[(1S,3R)-3-formyl-2,2-dimethylcyclopropyl]acetic acid
CID 44631748
2,2-dimethyl-3-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde
CID 13457405
cis-(1S,3R)-2,2-dimethyl-3-(3-oxobutyl)cyclopropane-1-carbaldehyde
CID 12835794
(3-formyl-2,2-dimethylcyclopropyl) hydrogen carbonate
CID 88661845
1-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]propan-2-one
CID 23451681
trans-methoxymethyl (1R,3S)-3-formyl-2,2-dimethylcyclopropane-1-carboxylate
CID 13272137
3-methoxypropyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate
CID 87095939
methyl 2-[2,2-dimethyl-3-(3-oxopropyl)cyclopropyl]acetate
CID 88797661
methyl 2-[(1S,3S)-2,2-dimethyl-3-(2-oxopropyl)cyclopropyl]acetate
CID 736113
[(E)-2-[(1S,3S)-2,2-dimethyl-3-(2-oxopropyl)cyclopropyl]ethenyl] acetate
CID 11052913
2-[2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclopropyl]acetic acid
CID 15965673

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(methylperoxymethyl)cyclopropane-1-carbaldehyde?
The IUPAC name of 2,2-dimethyl-3-(methylperoxymethyl)cyclopropane-1-carbaldehyde (CID 23393208) is 2,2-dimethyl-3-(methylperoxymethyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 2,2-dimethyl-3-(methylperoxymethyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 2,2-dimethyl-3-(methylperoxymethyl)cyclopropane-1-carbaldehyde is COOCC1C(C=O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(methylperoxymethyl)cyclopropane-1-carbaldehyde?
The InChIKey is GOEIXFYAILHTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-8(2)6(4-9)7(8)5-11-10-3/h4,6-7H,5H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(methylperoxymethyl)cyclopropane-1-carbaldehyde?
2,2-dimethyl-3-(methylperoxymethyl)cyclopropane-1-carbaldehyde has a molecular weight of 158.20 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(methylperoxymethyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 23393208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).