2-(2-cyclohexylthiophen-3-yl)acetaldehyde

C12H16OS — CID 174397683

IUPAC2-(2-cyclohexylthiophen-3-yl)acetaldehyde
SMILESO=CCc1ccsc1C1CCCCC1
InChIInChI=1S/C12H16OS/c13-8-6-11-7-9-14-12(11)10-4-2-1-3-5-10/h7-10H,1-6H2
InChIKeyAZIFVCPLBAYREZ-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.54
Rot. Bonds3

About 2-(2-cyclohexylthiophen-3-yl)acetaldehyde

2-(2-cyclohexylthiophen-3-yl)acetaldehyde (PubChem CID 174397683) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(2-cyclohexylthiophen-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-cyclohexylthiophen-3-yl)acetaldehyde
PubChem CID174397683
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name2-(2-cyclohexylthiophen-3-yl)acetaldehyde
SMILESO=CCc1ccsc1C1CCCCC1
InChIInChI=1S/C12H16OS/c13-8-6-11-7-9-14-12(11)10-4-2-1-3-5-10/h7-10H,1-6H2
InChIKeyAZIFVCPLBAYREZ-UHFFFAOYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-cyclohexylthiophen-3-yl)acetaldehyde?
The IUPAC name of 2-(2-cyclohexylthiophen-3-yl)acetaldehyde (CID 174397683) is 2-(2-cyclohexylthiophen-3-yl)acetaldehyde.
What is the SMILES notation for 2-(2-cyclohexylthiophen-3-yl)acetaldehyde?
The canonical SMILES for 2-(2-cyclohexylthiophen-3-yl)acetaldehyde is O=CCc1ccsc1C1CCCCC1.
What is the InChIKey of 2-(2-cyclohexylthiophen-3-yl)acetaldehyde?
The InChIKey is AZIFVCPLBAYREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c13-8-6-11-7-9-14-12(11)10-4-2-1-3-5-10/h7-10H,1-6H2.
What are the key properties of 2-(2-cyclohexylthiophen-3-yl)acetaldehyde?
2-(2-cyclohexylthiophen-3-yl)acetaldehyde has a molecular weight of 208.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylthiophen-3-yl)acetaldehyde is sourced from PubChem (CID 174397683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).