2-tert-butyl-1,1,5,5-tetramethylcyclohexane

C14H28 — CID 91142167

IUPAC2-tert-butyl-1,1,5,5-tetramethylcyclohexane
SMILESCC1(C)CCC(C(C)(C)C)C(C)(C)C1
InChIInChI=1S/C14H28/c1-12(2,3)11-8-9-13(4,5)10-14(11,6)7/h11H,8-10H2,1-7H3
InChIKeyRSCALVWBKWGRIG-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds

About 2-tert-butyl-1,1,5,5-tetramethylcyclohexane

2-tert-butyl-1,1,5,5-tetramethylcyclohexane (PubChem CID 91142167) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 2-tert-butyl-1,1,5,5-tetramethylcyclohexane.

Molecular Properties

Compound Name2-tert-butyl-1,1,5,5-tetramethylcyclohexane
PubChem CID91142167
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name2-tert-butyl-1,1,5,5-tetramethylcyclohexane
SMILESCC1(C)CCC(C(C)(C)C)C(C)(C)C1
InChIInChI=1S/C14H28/c1-12(2,3)11-8-9-13(4,5)10-14(11,6)7/h11H,8-10H2,1-7H3
InChIKeyRSCALVWBKWGRIG-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,1,5,5-tetramethylcyclohexane?
The IUPAC name of 2-tert-butyl-1,1,5,5-tetramethylcyclohexane (CID 91142167) is 2-tert-butyl-1,1,5,5-tetramethylcyclohexane.
What is the SMILES notation for 2-tert-butyl-1,1,5,5-tetramethylcyclohexane?
The canonical SMILES for 2-tert-butyl-1,1,5,5-tetramethylcyclohexane is CC1(C)CCC(C(C)(C)C)C(C)(C)C1.
What is the InChIKey of 2-tert-butyl-1,1,5,5-tetramethylcyclohexane?
The InChIKey is RSCALVWBKWGRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-12(2,3)11-8-9-13(4,5)10-14(11,6)7/h11H,8-10H2,1-7H3.
What are the key properties of 2-tert-butyl-1,1,5,5-tetramethylcyclohexane?
2-tert-butyl-1,1,5,5-tetramethylcyclohexane has a molecular weight of 196.38 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,1,5,5-tetramethylcyclohexane is sourced from PubChem (CID 91142167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).