1-[2,5-dimethyl-5-(1-methylcyclopentyl)hexan-2-yl]-2-methylbenzene

C21H34 — CID 158321460

IUPAC1-[2,5-dimethyl-5-(1-methylcyclopentyl)hexan-2-yl]-2-methylbenzene
SMILESCc1ccccc1C(C)(C)CCC(C)(C)C1(C)CCCC1
InChIInChI=1S/C21H34/c1-17-11-7-8-12-18(17)19(2,3)15-16-20(4,5)21(6)13-9-10-14-21/h7-8,11-12H,9-10,13-16H2,1-6H3
InChIKeyWAHZJMZDVNBTEQ-UHFFFAOYSA-N
MW286.50 g/mol
LogP6.66
Rot. Bonds5

About 1-[2,5-dimethyl-5-(1-methylcyclopentyl)hexan-2-yl]-2-methylbenzene

1-[2,5-dimethyl-5-(1-methylcyclopentyl)hexan-2-yl]-2-methylbenzene (PubChem CID 158321460) has the molecular formula C21H34 and a molecular weight of 286.50 g/mol. Its IUPAC name is 1-[2,5-dimethyl-5-(1-methylcyclopentyl)hexan-2-yl]-2-methylbenzene.

Molecular Properties

Compound Name1-[2,5-dimethyl-5-(1-methylcyclopentyl)hexan-2-yl]-2-methylbenzene
PubChem CID158321460
Molecular FormulaC21H34
Molecular Weight286.50 g/mol
Exact Mass286.27
IUPAC Name1-[2,5-dimethyl-5-(1-methylcyclopentyl)hexan-2-yl]-2-methylbenzene
SMILESCc1ccccc1C(C)(C)CCC(C)(C)C1(C)CCCC1
InChIInChI=1S/C21H34/c1-17-11-7-8-12-18(17)19(2,3)15-16-20(4,5)21(6)13-9-10-14-21/h7-8,11-12H,9-10,13-16H2,1-6H3
InChIKeyWAHZJMZDVNBTEQ-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-5-(1-methylcyclopentyl)hexan-2-yl]-2-methylbenzene?
The IUPAC name of 1-[2,5-dimethyl-5-(1-methylcyclopentyl)hexan-2-yl]-2-methylbenzene (CID 158321460) is 1-[2,5-dimethyl-5-(1-methylcyclopentyl)hexan-2-yl]-2-methylbenzene.
What is the SMILES notation for 1-[2,5-dimethyl-5-(1-methylcyclopentyl)hexan-2-yl]-2-methylbenzene?
The canonical SMILES for 1-[2,5-dimethyl-5-(1-methylcyclopentyl)hexan-2-yl]-2-methylbenzene is Cc1ccccc1C(C)(C)CCC(C)(C)C1(C)CCCC1.
What is the InChIKey of 1-[2,5-dimethyl-5-(1-methylcyclopentyl)hexan-2-yl]-2-methylbenzene?
The InChIKey is WAHZJMZDVNBTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34/c1-17-11-7-8-12-18(17)19(2,3)15-16-20(4,5)21(6)13-9-10-14-21/h7-8,11-12H,9-10,13-16H2,1-6H3.
What are the key properties of 1-[2,5-dimethyl-5-(1-methylcyclopentyl)hexan-2-yl]-2-methylbenzene?
1-[2,5-dimethyl-5-(1-methylcyclopentyl)hexan-2-yl]-2-methylbenzene has a molecular weight of 286.50 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-5-(1-methylcyclopentyl)hexan-2-yl]-2-methylbenzene is sourced from PubChem (CID 158321460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).