1-[(1R)-3,3-dimethylcyclohexyl]-4-methylbenzene

C15H22 — CID 102207116

IUPAC1-[(1R)-3,3-dimethylcyclohexyl]-4-methylbenzene
SMILESCc1ccc([C@@H]2CCCC(C)(C)C2)cc1
InChIInChI=1S/C15H22/c1-12-6-8-13(9-7-12)14-5-4-10-15(2,3)11-14/h6-9,14H,4-5,10-11H2,1-3H3/t14-/m1/s1
InChIKeyWTMPNKMDSOAALU-CQSZACIVSA-N
MW202.34 g/mol
LogP4.68
Rot. Bonds1

About 1-[(1R)-3,3-dimethylcyclohexyl]-4-methylbenzene

1-[(1R)-3,3-dimethylcyclohexyl]-4-methylbenzene (PubChem CID 102207116) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-[(1R)-3,3-dimethylcyclohexyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(1R)-3,3-dimethylcyclohexyl]-4-methylbenzene
PubChem CID102207116
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-[(1R)-3,3-dimethylcyclohexyl]-4-methylbenzene
SMILESCc1ccc([C@@H]2CCCC(C)(C)C2)cc1
InChIInChI=1S/C15H22/c1-12-6-8-13(9-7-12)14-5-4-10-15(2,3)11-14/h6-9,14H,4-5,10-11H2,1-3H3/t14-/m1/s1
InChIKeyWTMPNKMDSOAALU-CQSZACIVSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3,3-dimethylcyclohexyl]-4-methylbenzene?
The IUPAC name of 1-[(1R)-3,3-dimethylcyclohexyl]-4-methylbenzene (CID 102207116) is 1-[(1R)-3,3-dimethylcyclohexyl]-4-methylbenzene.
What is the SMILES notation for 1-[(1R)-3,3-dimethylcyclohexyl]-4-methylbenzene?
The canonical SMILES for 1-[(1R)-3,3-dimethylcyclohexyl]-4-methylbenzene is Cc1ccc([C@@H]2CCCC(C)(C)C2)cc1.
What is the InChIKey of 1-[(1R)-3,3-dimethylcyclohexyl]-4-methylbenzene?
The InChIKey is WTMPNKMDSOAALU-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22/c1-12-6-8-13(9-7-12)14-5-4-10-15(2,3)11-14/h6-9,14H,4-5,10-11H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-[(1R)-3,3-dimethylcyclohexyl]-4-methylbenzene?
1-[(1R)-3,3-dimethylcyclohexyl]-4-methylbenzene has a molecular weight of 202.34 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3,3-dimethylcyclohexyl]-4-methylbenzene is sourced from PubChem (CID 102207116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).