2-(2-cyclohexylpropan-2-yl)-1,4-dimethylbenzene

C17H26 — CID 154060566

IUPAC2-(2-cyclohexylpropan-2-yl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C(C)(C)C2CCCCC2)c1
InChIInChI=1S/C17H26/c1-13-10-11-14(2)16(12-13)17(3,4)15-8-6-5-7-9-15/h10-12,15H,5-9H2,1-4H3
InChIKeyFLVWAMAIGGNJBF-UHFFFAOYSA-N
MW230.40 g/mol
LogP5.16
Rot. Bonds2

About 2-(2-cyclohexylpropan-2-yl)-1,4-dimethylbenzene

2-(2-cyclohexylpropan-2-yl)-1,4-dimethylbenzene (PubChem CID 154060566) has the molecular formula C17H26 and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-(2-cyclohexylpropan-2-yl)-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-(2-cyclohexylpropan-2-yl)-1,4-dimethylbenzene
PubChem CID154060566
Molecular FormulaC17H26
Molecular Weight230.40 g/mol
Exact Mass230.20
IUPAC Name2-(2-cyclohexylpropan-2-yl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C(C)(C)C2CCCCC2)c1
InChIInChI=1S/C17H26/c1-13-10-11-14(2)16(12-13)17(3,4)15-8-6-5-7-9-15/h10-12,15H,5-9H2,1-4H3
InChIKeyFLVWAMAIGGNJBF-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.40
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylpropan-2-yl)-1,4-dimethylbenzene?
The IUPAC name of 2-(2-cyclohexylpropan-2-yl)-1,4-dimethylbenzene (CID 154060566) is 2-(2-cyclohexylpropan-2-yl)-1,4-dimethylbenzene.
What is the SMILES notation for 2-(2-cyclohexylpropan-2-yl)-1,4-dimethylbenzene?
The canonical SMILES for 2-(2-cyclohexylpropan-2-yl)-1,4-dimethylbenzene is Cc1ccc(C)c(C(C)(C)C2CCCCC2)c1.
What is the InChIKey of 2-(2-cyclohexylpropan-2-yl)-1,4-dimethylbenzene?
The InChIKey is FLVWAMAIGGNJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-13-10-11-14(2)16(12-13)17(3,4)15-8-6-5-7-9-15/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 2-(2-cyclohexylpropan-2-yl)-1,4-dimethylbenzene?
2-(2-cyclohexylpropan-2-yl)-1,4-dimethylbenzene has a molecular weight of 230.40 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylpropan-2-yl)-1,4-dimethylbenzene is sourced from PubChem (CID 154060566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).