2,2-dimethylpropanal;2-methylthiophene

C10H16OS — CID 142240012

IUPAC2,2-dimethylpropanal;2-methylthiophene
SMILESCC(C)(C)C=O.Cc1cccs1
InChIInChI=1S/C5H10O.C5H6S/c1-5(2,3)4-6;1-5-3-2-4-6-5/h4H,1-3H3;2-4H,1H3
InChIKeyZIBVRLMMRUBGRU-UHFFFAOYSA-N
MW184.30 g/mol
LogP3.29
Rot. Bonds

About 2,2-dimethylpropanal;2-methylthiophene

2,2-dimethylpropanal;2-methylthiophene (PubChem CID 142240012) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 2,2-dimethylpropanal;2-methylthiophene.

Molecular Properties

Compound Name2,2-dimethylpropanal;2-methylthiophene
PubChem CID142240012
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name2,2-dimethylpropanal;2-methylthiophene
SMILESCC(C)(C)C=O.Cc1cccs1
InChIInChI=1S/C5H10O.C5H6S/c1-5(2,3)4-6;1-5-3-2-4-6-5/h4H,1-3H3;2-4H,1H3
InChIKeyZIBVRLMMRUBGRU-UHFFFAOYSA-N
XLogP3.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 53.29
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-dimethylpropanal;2-methylthiophene?
The IUPAC name of 2,2-dimethylpropanal;2-methylthiophene (CID 142240012) is 2,2-dimethylpropanal;2-methylthiophene.
What is the SMILES notation for 2,2-dimethylpropanal;2-methylthiophene?
The canonical SMILES for 2,2-dimethylpropanal;2-methylthiophene is CC(C)(C)C=O.Cc1cccs1.
What is the InChIKey of 2,2-dimethylpropanal;2-methylthiophene?
The InChIKey is ZIBVRLMMRUBGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C5H6S/c1-5(2,3)4-6;1-5-3-2-4-6-5/h4H,1-3H3;2-4H,1H3.
What are the key properties of 2,2-dimethylpropanal;2-methylthiophene?
2,2-dimethylpropanal;2-methylthiophene has a molecular weight of 184.30 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanal;2-methylthiophene is sourced from PubChem (CID 142240012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).