2-ethyl-2-methyl-3,3-diphenylbutanal

C19H22O — CID 175440032

IUPAC2-ethyl-2-methyl-3,3-diphenylbutanal
SMILESCCC(C)(C=O)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22O/c1-4-18(2,15-20)19(3,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15H,4H2,1-3H3
InChIKeyQDHFUNSPIBGMGG-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.61
Rot. Bonds5

About 2-ethyl-2-methyl-3,3-diphenylbutanal

2-ethyl-2-methyl-3,3-diphenylbutanal (PubChem CID 175440032) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3,3-diphenylbutanal.

Molecular Properties

Compound Name2-ethyl-2-methyl-3,3-diphenylbutanal
PubChem CID175440032
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name2-ethyl-2-methyl-3,3-diphenylbutanal
SMILESCCC(C)(C=O)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22O/c1-4-18(2,15-20)19(3,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15H,4H2,1-3H3
InChIKeyQDHFUNSPIBGMGG-UHFFFAOYSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.61
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

2-methyl-2-phenylbutanal;hydrochloride
CID 141064880
(2R)-2-fluoro-2-phenylbutanal
CID 130623517
formic acid;2-methylbutan-2-ylbenzene
CID 158175832
2-(2,3,4,5,6-pentamethylphenyl)-2-phenylpropanal
CID 173351548
1-methyl-4-(2-phenylbutan-2-yl)benzene
CID 173298051
2-methylsulfanyl-2-phenylbutanal
CID 121220248
2-chlorobutan-2-ylbenzene;ethane
CID 123404536
N-(2-methyl-2-phenylbutyl)formamide
CID 149429107
ethyl formate;2-methylbutan-2-ylbenzene
CID 174608198
ethane;3-methylpentan-3-ylbenzene
CID 90745317
2-[(1-oxo-2-phenylpropan-2-yl)disulfanyl]-2-phenylpropanal
CID 88840285
1-(4-tert-butylphenyl)-1-phenylpropan-1-amine
CID 63408284

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-3,3-diphenylbutanal?
The IUPAC name of 2-ethyl-2-methyl-3,3-diphenylbutanal (CID 175440032) is 2-ethyl-2-methyl-3,3-diphenylbutanal.
What is the SMILES notation for 2-ethyl-2-methyl-3,3-diphenylbutanal?
The canonical SMILES for 2-ethyl-2-methyl-3,3-diphenylbutanal is CCC(C)(C=O)C(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-ethyl-2-methyl-3,3-diphenylbutanal?
The InChIKey is QDHFUNSPIBGMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-4-18(2,15-20)19(3,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15H,4H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-3,3-diphenylbutanal?
2-ethyl-2-methyl-3,3-diphenylbutanal has a molecular weight of 266.38 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3,3-diphenylbutanal is sourced from PubChem (CID 175440032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).