2-[1-butan-2-yl-2-(2,6-dimethylphenyl)butyl]-1,3-dimethylbenzene

C24H34 — CID 165033941

IUPAC2-[1-butan-2-yl-2-(2,6-dimethylphenyl)butyl]-1,3-dimethylbenzene
SMILESCCC(C)C(c1c(C)cccc1C)C(CC)c1c(C)cccc1C
InChIInChI=1S/C24H34/c1-8-16(3)24(23-19(6)14-11-15-20(23)7)21(9-2)22-17(4)12-10-13-18(22)5/h10-16,21,24H,8-9H2,1-7H3
InChIKeyNCAMWEJXDNJQJG-UHFFFAOYSA-N
MW322.54 g/mol
LogP7.24
Rot. Bonds6

About 2-[1-butan-2-yl-2-(2,6-dimethylphenyl)butyl]-1,3-dimethylbenzene

2-[1-butan-2-yl-2-(2,6-dimethylphenyl)butyl]-1,3-dimethylbenzene (PubChem CID 165033941) has the molecular formula C24H34 and a molecular weight of 322.54 g/mol. Its IUPAC name is 2-[1-butan-2-yl-2-(2,6-dimethylphenyl)butyl]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[1-butan-2-yl-2-(2,6-dimethylphenyl)butyl]-1,3-dimethylbenzene
PubChem CID165033941
Molecular FormulaC24H34
Molecular Weight322.54 g/mol
Exact Mass322.27
IUPAC Name2-[1-butan-2-yl-2-(2,6-dimethylphenyl)butyl]-1,3-dimethylbenzene
SMILESCCC(C)C(c1c(C)cccc1C)C(CC)c1c(C)cccc1C
InChIInChI=1S/C24H34/c1-8-16(3)24(23-19(6)14-11-15-20(23)7)21(9-2)22-17(4)12-10-13-18(22)5/h10-16,21,24H,8-9H2,1-7H3
InChIKeyNCAMWEJXDNJQJG-UHFFFAOYSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[1-butan-2-yl-2-(2,6-dimethylphenyl)butyl]-1,3-dimethylbenzene?
The IUPAC name of 2-[1-butan-2-yl-2-(2,6-dimethylphenyl)butyl]-1,3-dimethylbenzene (CID 165033941) is 2-[1-butan-2-yl-2-(2,6-dimethylphenyl)butyl]-1,3-dimethylbenzene.
What is the SMILES notation for 2-[1-butan-2-yl-2-(2,6-dimethylphenyl)butyl]-1,3-dimethylbenzene?
The canonical SMILES for 2-[1-butan-2-yl-2-(2,6-dimethylphenyl)butyl]-1,3-dimethylbenzene is CCC(C)C(c1c(C)cccc1C)C(CC)c1c(C)cccc1C.
What is the InChIKey of 2-[1-butan-2-yl-2-(2,6-dimethylphenyl)butyl]-1,3-dimethylbenzene?
The InChIKey is NCAMWEJXDNJQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34/c1-8-16(3)24(23-19(6)14-11-15-20(23)7)21(9-2)22-17(4)12-10-13-18(22)5/h10-16,21,24H,8-9H2,1-7H3.
What are the key properties of 2-[1-butan-2-yl-2-(2,6-dimethylphenyl)butyl]-1,3-dimethylbenzene?
2-[1-butan-2-yl-2-(2,6-dimethylphenyl)butyl]-1,3-dimethylbenzene has a molecular weight of 322.54 g/mol, XLogP of 7.24, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-butan-2-yl-2-(2,6-dimethylphenyl)butyl]-1,3-dimethylbenzene is sourced from PubChem (CID 165033941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).