4-[2-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylbenzene

C18H28 — CID 154060419

IUPAC4-[2-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylbenzene
SMILESCc1ccc(CCC2CCC(C)C(C)C2)cc1C
InChIInChI=1S/C18H28/c1-13-5-7-17(11-15(13)3)9-10-18-8-6-14(2)16(4)12-18/h5,7,11,14,16,18H,6,8-10,12H2,1-4H3
InChIKeyONVKAIJKVLGEFE-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.31
Rot. Bonds3

About 4-[2-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylbenzene

4-[2-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylbenzene (PubChem CID 154060419) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 4-[2-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[2-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylbenzene
PubChem CID154060419
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name4-[2-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylbenzene
SMILESCc1ccc(CCC2CCC(C)C(C)C2)cc1C
InChIInChI=1S/C18H28/c1-13-5-7-17(11-15(13)3)9-10-18-8-6-14(2)16(4)12-18/h5,7,11,14,16,18H,6,8-10,12H2,1-4H3
InChIKeyONVKAIJKVLGEFE-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylbenzene?
The IUPAC name of 4-[2-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylbenzene (CID 154060419) is 4-[2-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[2-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[2-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylbenzene is Cc1ccc(CCC2CCC(C)C(C)C2)cc1C.
What is the InChIKey of 4-[2-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylbenzene?
The InChIKey is ONVKAIJKVLGEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-13-5-7-17(11-15(13)3)9-10-18-8-6-14(2)16(4)12-18/h5,7,11,14,16,18H,6,8-10,12H2,1-4H3.
What are the key properties of 4-[2-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylbenzene?
4-[2-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylbenzene has a molecular weight of 244.42 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethylcyclohexyl)ethyl]-1,2-dimethylbenzene is sourced from PubChem (CID 154060419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).