2-tert-butyl-1,3,5-trimethylcyclohexane

C13H26 — CID 59523055

IUPAC2-tert-butyl-1,3,5-trimethylcyclohexane
SMILESCC1CC(C)C(C(C)(C)C)C(C)C1
InChIInChI=1S/C13H26/c1-9-7-10(2)12(11(3)8-9)13(4,5)6/h9-12H,7-8H2,1-6H3
InChIKeyZLJUAGXGZDSPQS-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.35
Rot. Bonds

About 2-tert-butyl-1,3,5-trimethylcyclohexane

2-tert-butyl-1,3,5-trimethylcyclohexane (PubChem CID 59523055) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 2-tert-butyl-1,3,5-trimethylcyclohexane.

Molecular Properties

Compound Name2-tert-butyl-1,3,5-trimethylcyclohexane
PubChem CID59523055
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name2-tert-butyl-1,3,5-trimethylcyclohexane
SMILESCC1CC(C)C(C(C)(C)C)C(C)C1
InChIInChI=1S/C13H26/c1-9-7-10(2)12(11(3)8-9)13(4,5)6/h9-12H,7-8H2,1-6H3
InChIKeyZLJUAGXGZDSPQS-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;1,2,4-trimethylcyclopentane
CID 157268000
1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane
CID 59549992
1,2,3,5,7-pentamethylcyclooctane
CID 91401486
1,2,3,4-tetratert-butylcyclobutane
CID 164732302
trans-(2R,6R)-2,6-ditert-butyl-4-methylcyclohexan-1-ol
CID 7037526
1-tert-butyl-3-methylcyclobutane;ethane;propane
CID 143337581
(2,4-dimethylcyclopentyl)methanamine
CID 134314260
9-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 91052446
deuterium monohydride;1,2-dimethylcyclopropane
CID 159192336
cis-(1S,4R)-1-fluoro-2,4-dimethylcyclopentane
CID 169143039
5-tert-butylbicyclo[2.1.1]hexane
CID 140587712
(1R,2S,4R)-2,4-dimethylcyclopentan-1-amine
CID 134253027

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3,5-trimethylcyclohexane?
The IUPAC name of 2-tert-butyl-1,3,5-trimethylcyclohexane (CID 59523055) is 2-tert-butyl-1,3,5-trimethylcyclohexane.
What is the SMILES notation for 2-tert-butyl-1,3,5-trimethylcyclohexane?
The canonical SMILES for 2-tert-butyl-1,3,5-trimethylcyclohexane is CC1CC(C)C(C(C)(C)C)C(C)C1.
What is the InChIKey of 2-tert-butyl-1,3,5-trimethylcyclohexane?
The InChIKey is ZLJUAGXGZDSPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-9-7-10(2)12(11(3)8-9)13(4,5)6/h9-12H,7-8H2,1-6H3.
What are the key properties of 2-tert-butyl-1,3,5-trimethylcyclohexane?
2-tert-butyl-1,3,5-trimethylcyclohexane has a molecular weight of 182.35 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3,5-trimethylcyclohexane is sourced from PubChem (CID 59523055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).