2-(4-tert-butyl-2,6-dimethylphenyl)-2,2-dichloroacetaldehyde

C14H18Cl2O — CID 87186865

IUPAC2-(4-tert-butyl-2,6-dimethylphenyl)-2,2-dichloroacetaldehyde
SMILESCc1cc(C(C)(C)C)cc(C)c1C(Cl)(Cl)C=O
InChIInChI=1S/C14H18Cl2O/c1-9-6-11(13(3,4)5)7-10(2)12(9)14(15,16)8-17/h6-8H,1-5H3
InChIKeyDYLWFHBQBXDOBE-UHFFFAOYSA-N
MW273.20 g/mol
LogP4.43
Rot. Bonds2

About 2-(4-tert-butyl-2,6-dimethylphenyl)-2,2-dichloroacetaldehyde

2-(4-tert-butyl-2,6-dimethylphenyl)-2,2-dichloroacetaldehyde (PubChem CID 87186865) has the molecular formula C14H18Cl2O and a molecular weight of 273.20 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,6-dimethylphenyl)-2,2-dichloroacetaldehyde.

Molecular Properties

Compound Name2-(4-tert-butyl-2,6-dimethylphenyl)-2,2-dichloroacetaldehyde
PubChem CID87186865
Molecular FormulaC14H18Cl2O
Molecular Weight273.20 g/mol
Exact Mass272.07
IUPAC Name2-(4-tert-butyl-2,6-dimethylphenyl)-2,2-dichloroacetaldehyde
SMILESCc1cc(C(C)(C)C)cc(C)c1C(Cl)(Cl)C=O
InChIInChI=1S/C14H18Cl2O/c1-9-6-11(13(3,4)5)7-10(2)12(9)14(15,16)8-17/h6-8H,1-5H3
InChIKeyDYLWFHBQBXDOBE-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-1,3-dimethyl-2-(trifluoromethyl)benzene
CID 116964832
5-tert-butyl-2-methylbenzene-1,3-dicarbaldehyde
CID 10965619
4-tert-butyl-2,6-dimethylbenzenesulfonyl chloride
CID 3868506
2-(3,4-dimethylphenyl)-2-methylpropanal
CID 59042198
1-tert-butyl-3,5-dimethylbenzene;propanal
CID 174916459
2-(4-tert-butyl-2,6-dimethylphenyl)propane-1,2-diamine
CID 116855593
2,3-bis(4-tert-butyl-2,6-dimethylphenyl)cycloprop-2-en-1-one
CID 164518953
5-(4-tert-butyl-2,6-dimethylphenyl)pentanal
CID 98015684
2-tert-butyl-6,8-dimethylpyrene-4,10-dicarbaldehyde
CID 102581625
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
4-tert-butyl-2,6-dimethoxybenzaldehyde
CID 138453760
4-tert-butyl-2,6-dimethylbenzoyl cyanide
CID 116918980

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-2,2-dichloroacetaldehyde?
The IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-2,2-dichloroacetaldehyde (CID 87186865) is 2-(4-tert-butyl-2,6-dimethylphenyl)-2,2-dichloroacetaldehyde.
What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylphenyl)-2,2-dichloroacetaldehyde?
The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylphenyl)-2,2-dichloroacetaldehyde is Cc1cc(C(C)(C)C)cc(C)c1C(Cl)(Cl)C=O.
What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylphenyl)-2,2-dichloroacetaldehyde?
The InChIKey is DYLWFHBQBXDOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O/c1-9-6-11(13(3,4)5)7-10(2)12(9)14(15,16)8-17/h6-8H,1-5H3.
What are the key properties of 2-(4-tert-butyl-2,6-dimethylphenyl)-2,2-dichloroacetaldehyde?
2-(4-tert-butyl-2,6-dimethylphenyl)-2,2-dichloroacetaldehyde has a molecular weight of 273.20 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,6-dimethylphenyl)-2,2-dichloroacetaldehyde is sourced from PubChem (CID 87186865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).