2-cyclopentyl-2-methylsulfonylacetaldehyde

C8H14O3S — CID 102568308

IUPAC2-cyclopentyl-2-methylsulfonylacetaldehyde
SMILESCS(=O)(=O)C(C=O)C1CCCC1
InChIInChI=1S/C8H14O3S/c1-12(10,11)8(6-9)7-4-2-3-5-7/h6-8H,2-5H2,1H3
InChIKeyFTRHNXZYWLUKMN-UHFFFAOYSA-N
MW190.26 g/mol
LogP0.79
Rot. Bonds3

About 2-cyclopentyl-2-methylsulfonylacetaldehyde

2-cyclopentyl-2-methylsulfonylacetaldehyde (PubChem CID 102568308) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is 2-cyclopentyl-2-methylsulfonylacetaldehyde.

Molecular Properties

Compound Name2-cyclopentyl-2-methylsulfonylacetaldehyde
PubChem CID102568308
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name2-cyclopentyl-2-methylsulfonylacetaldehyde
SMILESCS(=O)(=O)C(C=O)C1CCCC1
InChIInChI=1S/C8H14O3S/c1-12(10,11)8(6-9)7-4-2-3-5-7/h6-8H,2-5H2,1H3
InChIKeyFTRHNXZYWLUKMN-UHFFFAOYSA-N
XLogP0.79
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-methylsulfonylacetaldehyde?
The IUPAC name of 2-cyclopentyl-2-methylsulfonylacetaldehyde (CID 102568308) is 2-cyclopentyl-2-methylsulfonylacetaldehyde.
What is the SMILES notation for 2-cyclopentyl-2-methylsulfonylacetaldehyde?
The canonical SMILES for 2-cyclopentyl-2-methylsulfonylacetaldehyde is CS(=O)(=O)C(C=O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-methylsulfonylacetaldehyde?
The InChIKey is FTRHNXZYWLUKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c1-12(10,11)8(6-9)7-4-2-3-5-7/h6-8H,2-5H2,1H3.
What are the key properties of 2-cyclopentyl-2-methylsulfonylacetaldehyde?
2-cyclopentyl-2-methylsulfonylacetaldehyde has a molecular weight of 190.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-methylsulfonylacetaldehyde is sourced from PubChem (CID 102568308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).