2-tert-butyl-4-methyl-1-propan-2-ylcyclohexane

C14H28 — CID 22089335

IUPAC2-tert-butyl-4-methyl-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(C(C)(C)C)C1
InChIInChI=1S/C14H28/c1-10(2)12-8-7-11(3)9-13(12)14(4,5)6/h10-13H,7-9H2,1-6H3
InChIKeyCLRHMJMFEKSASH-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.74
Rot. Bonds1

About 2-tert-butyl-4-methyl-1-propan-2-ylcyclohexane

2-tert-butyl-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 22089335) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-1-propan-2-ylcyclohexane
PubChem CID22089335
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name2-tert-butyl-4-methyl-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(C(C)(C)C)C1
InChIInChI=1S/C14H28/c1-10(2)12-8-7-11(3)9-13(12)14(4,5)6/h10-13H,7-9H2,1-6H3
InChIKeyCLRHMJMFEKSASH-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of 2-tert-butyl-4-methyl-1-propan-2-ylcyclohexane (CID 22089335) is 2-tert-butyl-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for 2-tert-butyl-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for 2-tert-butyl-4-methyl-1-propan-2-ylcyclohexane is CC1CCC(C(C)C)C(C(C)(C)C)C1.
What is the InChIKey of 2-tert-butyl-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is CLRHMJMFEKSASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-10(2)12-8-7-11(3)9-13(12)14(4,5)6/h10-13H,7-9H2,1-6H3.
What are the key properties of 2-tert-butyl-4-methyl-1-propan-2-ylcyclohexane?
2-tert-butyl-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 196.38 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 22089335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).