2-[5-(2,4-dimethylphenyl)-2,2-dimethylhexoxy]-6-propan-2-ylpyridine

C24H35NO — CID 130223600

IUPAC2-[5-(2,4-dimethylphenyl)-2,2-dimethylhexoxy]-6-propan-2-ylpyridine
SMILESCc1ccc(C(C)CCC(C)(C)COc2cccc(C(C)C)n2)c(C)c1
InChIInChI=1S/C24H35NO/c1-17(2)22-9-8-10-23(25-22)26-16-24(6,7)14-13-19(4)21-12-11-18(3)15-20(21)5/h8-12,15,17,19H,13-14,16H2,1-7H3
InChIKeyAQBJYVKKGRXUIO-UHFFFAOYSA-N
MW353.55 g/mol
LogP6.81
Rot. Bonds8

About 2-[5-(2,4-dimethylphenyl)-2,2-dimethylhexoxy]-6-propan-2-ylpyridine

2-[5-(2,4-dimethylphenyl)-2,2-dimethylhexoxy]-6-propan-2-ylpyridine (PubChem CID 130223600) has the molecular formula C24H35NO and a molecular weight of 353.55 g/mol. Its IUPAC name is 2-[5-(2,4-dimethylphenyl)-2,2-dimethylhexoxy]-6-propan-2-ylpyridine.

Molecular Properties

Compound Name2-[5-(2,4-dimethylphenyl)-2,2-dimethylhexoxy]-6-propan-2-ylpyridine
PubChem CID130223600
Molecular FormulaC24H35NO
Molecular Weight353.55 g/mol
Exact Mass353.27
IUPAC Name2-[5-(2,4-dimethylphenyl)-2,2-dimethylhexoxy]-6-propan-2-ylpyridine
SMILESCc1ccc(C(C)CCC(C)(C)COc2cccc(C(C)C)n2)c(C)c1
InChIInChI=1S/C24H35NO/c1-17(2)22-9-8-10-23(25-22)26-16-24(6,7)14-13-19(4)21-12-11-18(3)15-20(21)5/h8-12,15,17,19H,13-14,16H2,1-7H3
InChIKeyAQBJYVKKGRXUIO-UHFFFAOYSA-N
XLogP6.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,2-dimethyl-5-[6-(2-methylpropoxy)pyrazin-2-yl]hexoxy]-6-propan-2-ylpyrazine
CID 130223524
6-(2,4-dimethylphenyl)heptan-3-amine
CID 83927991
2-(4,4-dimethylpentan-2-yloxy)-6-propan-2-ylpyridine
CID 130223913
4-(2,4-dimethylphenyl)pentan-2-amine
CID 64721851
1-(1-chloro-3,3-dimethylbutyl)-2,4-dimethylbenzene
CID 63430059
1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane
CID 91220313
1-(2,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 63455557
1-(2,4-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933377
(3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
CID 131625562
1-(2,4-dimethylphenyl)-3,5,5-trimethylhexan-1-amine
CID 43138783
bis(2-tert-butyl-4-propan-2-ylpyridine);tris(2-tert-butyl-6-propan-2-ylpyridine);2-methoxy-6-propan-2-ylpyridine
CID 159786538
2,4-dimethyl-1-[1-(2-methylphenyl)ethyl]benzene
CID 54473191

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-dimethylphenyl)-2,2-dimethylhexoxy]-6-propan-2-ylpyridine?
The IUPAC name of 2-[5-(2,4-dimethylphenyl)-2,2-dimethylhexoxy]-6-propan-2-ylpyridine (CID 130223600) is 2-[5-(2,4-dimethylphenyl)-2,2-dimethylhexoxy]-6-propan-2-ylpyridine.
What is the SMILES notation for 2-[5-(2,4-dimethylphenyl)-2,2-dimethylhexoxy]-6-propan-2-ylpyridine?
The canonical SMILES for 2-[5-(2,4-dimethylphenyl)-2,2-dimethylhexoxy]-6-propan-2-ylpyridine is Cc1ccc(C(C)CCC(C)(C)COc2cccc(C(C)C)n2)c(C)c1.
What is the InChIKey of 2-[5-(2,4-dimethylphenyl)-2,2-dimethylhexoxy]-6-propan-2-ylpyridine?
The InChIKey is AQBJYVKKGRXUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO/c1-17(2)22-9-8-10-23(25-22)26-16-24(6,7)14-13-19(4)21-12-11-18(3)15-20(21)5/h8-12,15,17,19H,13-14,16H2,1-7H3.
What are the key properties of 2-[5-(2,4-dimethylphenyl)-2,2-dimethylhexoxy]-6-propan-2-ylpyridine?
2-[5-(2,4-dimethylphenyl)-2,2-dimethylhexoxy]-6-propan-2-ylpyridine has a molecular weight of 353.55 g/mol, XLogP of 6.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-dimethylphenyl)-2,2-dimethylhexoxy]-6-propan-2-ylpyridine is sourced from PubChem (CID 130223600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).