1,2,2-trimethylcyclopropane-1-carbaldehyde

C7H12O — CID 12962871

IUPAC1,2,2-trimethylcyclopropane-1-carbaldehyde
SMILESCC1(C)CC1(C)C=O
InChIInChI=1S/C7H12O/c1-6(2)4-7(6,3)5-8/h5H,4H2,1-3H3
InChIKeyOSHUPHCLTIQGFJ-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.62
Rot. Bonds1

About 1,2,2-trimethylcyclopropane-1-carbaldehyde

1,2,2-trimethylcyclopropane-1-carbaldehyde (PubChem CID 12962871) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 1,2,2-trimethylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1,2,2-trimethylcyclopropane-1-carbaldehyde
PubChem CID12962871
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name1,2,2-trimethylcyclopropane-1-carbaldehyde
SMILESCC1(C)CC1(C)C=O
InChIInChI=1S/C7H12O/c1-6(2)4-7(6,3)5-8/h5H,4H2,1-3H3
InChIKeyOSHUPHCLTIQGFJ-UHFFFAOYSA-N
XLogP1.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,2-Dimethylvaleraldehyde
CID 84292
4,4-Dimethylpentanal
CID 11062343
2,2-Dimethylcyclopropane-1-carbaldehyde
CID 14225662
1,2-Dimethylcyclopropane-1-carbaldehyde
CID 12962868
2-(1-Methylcyclopropyl)acetaldehyde
CID 13464501
2,2,3,3-Tetramethylcyclopropane-1-carbaldehyde
CID 20289364
1-Ethylcyclopropane-1-carbaldehyde
CID 21924633
3-(1-Methylcyclopropyl)propanal
CID 22421116
1-(Propan-2-yl)cyclopropane-1-carbaldehyde
CID 23335962
(1S)-2,2-dimethylcyclopropane-1-carbaldehyde
CID 54148161
3-Cyclopropyl-3-methylbutanal
CID 86640372
2-Cyclopropyl-2-methylpropanal
CID 129629061

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethylcyclopropane-1-carbaldehyde?
The IUPAC name of 1,2,2-trimethylcyclopropane-1-carbaldehyde (CID 12962871) is 1,2,2-trimethylcyclopropane-1-carbaldehyde.
What is the SMILES notation for 1,2,2-trimethylcyclopropane-1-carbaldehyde?
The canonical SMILES for 1,2,2-trimethylcyclopropane-1-carbaldehyde is CC1(C)CC1(C)C=O.
What is the InChIKey of 1,2,2-trimethylcyclopropane-1-carbaldehyde?
The InChIKey is OSHUPHCLTIQGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-6(2)4-7(6,3)5-8/h5H,4H2,1-3H3.
What are the key properties of 1,2,2-trimethylcyclopropane-1-carbaldehyde?
1,2,2-trimethylcyclopropane-1-carbaldehyde has a molecular weight of 112.17 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 12962871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).