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'}

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Related Compounds

1-tert-butyl-2,3-di(propan-2-yl)benzene
CID 58827360
2-(2-hydroxyphenyl)-2-methylpropanal
CID 88788107
sulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene
CID 22723821
1-[2,3-di(propan-2-yl)phenyl]-2,2,2-trifluoroethanone
CID 166059963
2-(2-iodophenyl)-2-methylpropanal
CID 117046923
2-(8-hydroxynaphthalen-1-yl)-2-methylpropanal
CID 105467577
2-tert-butyl-6-propan-2-ylbenzenethiol
CID 175036123
1-[2,3-di(propan-2-yl)phenyl]peroxyperoxy-2,3-di(propan-2-yl)benzene
CID 141059308
1-tert-butyl-2-methyl-3-propan-2-ylbenzene;ethane;uranium;dihydrofluoride
CID 177342998
1-tert-butyl-3-nitroso-2-propan-2-ylbenzene
CID 174619998
1-tert-butyl-2-methoxy-3-propan-2-ylbenzene
CID 58817173
[2,6-di(propan-2-yl)phenyl] formate
CID 54331720

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).