4-tert-butyl-1,2-dimethylcyclohexane

C12H24 — CID 54196830

IUPAC4-tert-butyl-1,2-dimethylcyclohexane
SMILESCC1CCC(C(C)(C)C)CC1C
InChIInChI=1S/C12H24/c1-9-6-7-11(8-10(9)2)12(3,4)5/h9-11H,6-8H2,1-5H3
InChIKeyPMKIBFSLEIXEHU-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds

About 4-tert-butyl-1,2-dimethylcyclohexane

4-tert-butyl-1,2-dimethylcyclohexane (PubChem CID 54196830) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 4-tert-butyl-1,2-dimethylcyclohexane.

Molecular Properties

Compound Name4-tert-butyl-1,2-dimethylcyclohexane
PubChem CID54196830
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name4-tert-butyl-1,2-dimethylcyclohexane
SMILESCC1CCC(C(C)(C)C)CC1C
InChIInChI=1S/C12H24/c1-9-6-7-11(8-10(9)2)12(3,4)5/h9-11H,6-8H2,1-5H3
InChIKeyPMKIBFSLEIXEHU-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,2-dimethylcyclohexane?
The IUPAC name of 4-tert-butyl-1,2-dimethylcyclohexane (CID 54196830) is 4-tert-butyl-1,2-dimethylcyclohexane.
What is the SMILES notation for 4-tert-butyl-1,2-dimethylcyclohexane?
The canonical SMILES for 4-tert-butyl-1,2-dimethylcyclohexane is CC1CCC(C(C)(C)C)CC1C.
What is the InChIKey of 4-tert-butyl-1,2-dimethylcyclohexane?
The InChIKey is PMKIBFSLEIXEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-9-6-7-11(8-10(9)2)12(3,4)5/h9-11H,6-8H2,1-5H3.
What are the key properties of 4-tert-butyl-1,2-dimethylcyclohexane?
4-tert-butyl-1,2-dimethylcyclohexane has a molecular weight of 168.32 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,2-dimethylcyclohexane is sourced from PubChem (CID 54196830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).