2-[2,3-di(propan-2-yl)phenyl]-2-methylpropanal

C16H24O — CID 87916121

IUPAC2-[2,3-di(propan-2-yl)phenyl]-2-methylpropanal
SMILESCC(C)c1cccc(C(C)(C)C=O)c1C(C)C
InChIInChI=1S/C16H24O/c1-11(2)13-8-7-9-14(15(13)12(3)4)16(5,6)10-17/h7-12H,1-6H3
InChIKeyVFPARZVCTRSYHL-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.41
Rot. Bonds4

About 2-[2,3-di(propan-2-yl)phenyl]-2-methylpropanal

2-[2,3-di(propan-2-yl)phenyl]-2-methylpropanal (PubChem CID 87916121) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[2,3-di(propan-2-yl)phenyl]-2-methylpropanal.

Molecular Properties

Compound Name2-[2,3-di(propan-2-yl)phenyl]-2-methylpropanal
PubChem CID87916121
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name2-[2,3-di(propan-2-yl)phenyl]-2-methylpropanal
SMILESCC(C)c1cccc(C(C)(C)C=O)c1C(C)C
InChIInChI=1S/C16H24O/c1-11(2)13-8-7-9-14(15(13)12(3)4)16(5,6)10-17/h7-12H,1-6H3
InChIKeyVFPARZVCTRSYHL-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2,3-di(propan-2-yl)phenyl]-2-methylpropanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-di(propan-2-yl)phenyl]-2-methylpropanal?
The IUPAC name of 2-[2,3-di(propan-2-yl)phenyl]-2-methylpropanal (CID 87916121) is 2-[2,3-di(propan-2-yl)phenyl]-2-methylpropanal.
What is the SMILES notation for 2-[2,3-di(propan-2-yl)phenyl]-2-methylpropanal?
The canonical SMILES for 2-[2,3-di(propan-2-yl)phenyl]-2-methylpropanal is CC(C)c1cccc(C(C)(C)C=O)c1C(C)C.
What is the InChIKey of 2-[2,3-di(propan-2-yl)phenyl]-2-methylpropanal?
The InChIKey is VFPARZVCTRSYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-11(2)13-8-7-9-14(15(13)12(3)4)16(5,6)10-17/h7-12H,1-6H3.
What are the key properties of 2-[2,3-di(propan-2-yl)phenyl]-2-methylpropanal?
2-[2,3-di(propan-2-yl)phenyl]-2-methylpropanal has a molecular weight of 232.37 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-di(propan-2-yl)phenyl]-2-methylpropanal is sourced from PubChem (CID 87916121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).