1-[2,3-dimethyl-3-(3-propan-2-ylphenyl)butan-2-yl]-4-propan-2-ylbenzene

C24H34 — CID 56993717

IUPAC1-[2,3-dimethyl-3-(3-propan-2-ylphenyl)butan-2-yl]-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(C)(C)C(C)(C)c2cccc(C(C)C)c2)cc1
InChIInChI=1S/C24H34/c1-17(2)19-12-14-21(15-13-19)23(5,6)24(7,8)22-11-9-10-20(16-22)18(3)4/h9-18H,1-8H3
InChIKeyXBKOWBORACRTRG-UHFFFAOYSA-N
MW322.54 g/mol
LogP7.19
Rot. Bonds5

About 1-[2,3-dimethyl-3-(3-propan-2-ylphenyl)butan-2-yl]-4-propan-2-ylbenzene

1-[2,3-dimethyl-3-(3-propan-2-ylphenyl)butan-2-yl]-4-propan-2-ylbenzene (PubChem CID 56993717) has the molecular formula C24H34 and a molecular weight of 322.54 g/mol. Its IUPAC name is 1-[2,3-dimethyl-3-(3-propan-2-ylphenyl)butan-2-yl]-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[2,3-dimethyl-3-(3-propan-2-ylphenyl)butan-2-yl]-4-propan-2-ylbenzene
PubChem CID56993717
Molecular FormulaC24H34
Molecular Weight322.54 g/mol
Exact Mass322.27
IUPAC Name1-[2,3-dimethyl-3-(3-propan-2-ylphenyl)butan-2-yl]-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(C)(C)C(C)(C)c2cccc(C(C)C)c2)cc1
InChIInChI=1S/C24H34/c1-17(2)19-12-14-21(15-13-19)23(5,6)24(7,8)22-11-9-10-20(16-22)18(3)4/h9-18H,1-8H3
InChIKeyXBKOWBORACRTRG-UHFFFAOYSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3-dimethyl-3-(3-propan-2-ylphenyl)butan-2-yl]-4-propan-2-ylbenzene?
The IUPAC name of 1-[2,3-dimethyl-3-(3-propan-2-ylphenyl)butan-2-yl]-4-propan-2-ylbenzene (CID 56993717) is 1-[2,3-dimethyl-3-(3-propan-2-ylphenyl)butan-2-yl]-4-propan-2-ylbenzene.
What is the SMILES notation for 1-[2,3-dimethyl-3-(3-propan-2-ylphenyl)butan-2-yl]-4-propan-2-ylbenzene?
The canonical SMILES for 1-[2,3-dimethyl-3-(3-propan-2-ylphenyl)butan-2-yl]-4-propan-2-ylbenzene is CC(C)c1ccc(C(C)(C)C(C)(C)c2cccc(C(C)C)c2)cc1.
What is the InChIKey of 1-[2,3-dimethyl-3-(3-propan-2-ylphenyl)butan-2-yl]-4-propan-2-ylbenzene?
The InChIKey is XBKOWBORACRTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34/c1-17(2)19-12-14-21(15-13-19)23(5,6)24(7,8)22-11-9-10-20(16-22)18(3)4/h9-18H,1-8H3.
What are the key properties of 1-[2,3-dimethyl-3-(3-propan-2-ylphenyl)butan-2-yl]-4-propan-2-ylbenzene?
1-[2,3-dimethyl-3-(3-propan-2-ylphenyl)butan-2-yl]-4-propan-2-ylbenzene has a molecular weight of 322.54 g/mol, XLogP of 7.19, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-dimethyl-3-(3-propan-2-ylphenyl)butan-2-yl]-4-propan-2-ylbenzene is sourced from PubChem (CID 56993717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).