(5R)-3-tert-butyl-1,1,5-trimethylcyclohexane

C13H26 — CID 59984592

IUPAC(5R)-3-tert-butyl-1,1,5-trimethylcyclohexane
SMILESC[C@@H]1CC(C(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C13H26/c1-10-7-11(12(2,3)4)9-13(5,6)8-10/h10-11H,7-9H2,1-6H3/t10-,11?/m1/s1
InChIKeyBPWVWVVQAUZACA-NFJWQWPMSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds

About (5R)-3-tert-butyl-1,1,5-trimethylcyclohexane

(5R)-3-tert-butyl-1,1,5-trimethylcyclohexane (PubChem CID 59984592) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is (5R)-3-tert-butyl-1,1,5-trimethylcyclohexane.

Molecular Properties

Compound Name(5R)-3-tert-butyl-1,1,5-trimethylcyclohexane
PubChem CID59984592
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name(5R)-3-tert-butyl-1,1,5-trimethylcyclohexane
SMILESC[C@@H]1CC(C(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C13H26/c1-10-7-11(12(2,3)4)9-13(5,6)8-10/h10-11H,7-9H2,1-6H3/t10-,11?/m1/s1
InChIKeyBPWVWVVQAUZACA-NFJWQWPMSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-2-(3,3,5-trimethylcyclohexyl)propanoic acid
CID 68802925
3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane
CID 158072169
1,1,3-trimethylcyclobutane
CID 12656861
CID 58818162
CID 58818162
1,4-ditert-butylcyclohexane;bis(1,4-dimethylcyclohexane)
CID 158485591
1-tert-butyl-3-methylcyclobutane;ethane;propane
CID 143337581
ethyl 2-hydroxy-2-(3,3,5-trimethylcyclohexyl)pentanoate
CID 83051168
N-(3,3,5-trimethylcyclohexyl)tricyclo[3.2.1.02,4]octan-3-amine
CID 114095713
[(1S,5R)-3,3,5-trimethylcyclohexyl]methanamine
CID 93286265
1-tert-butyl-3-methylcyclohexane;propane
CID 177337386
1-tert-butyl-4-methylcyclohexane;hydrobromide
CID 70497409
ethane;propane;1,1,3-trimethylcyclobutane
CID 166460974

Frequently Asked Questions

What is the IUPAC name of (5R)-3-tert-butyl-1,1,5-trimethylcyclohexane?
The IUPAC name of (5R)-3-tert-butyl-1,1,5-trimethylcyclohexane (CID 59984592) is (5R)-3-tert-butyl-1,1,5-trimethylcyclohexane.
What is the SMILES notation for (5R)-3-tert-butyl-1,1,5-trimethylcyclohexane?
The canonical SMILES for (5R)-3-tert-butyl-1,1,5-trimethylcyclohexane is C[C@@H]1CC(C(C)(C)C)CC(C)(C)C1.
What is the InChIKey of (5R)-3-tert-butyl-1,1,5-trimethylcyclohexane?
The InChIKey is BPWVWVVQAUZACA-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H26/c1-10-7-11(12(2,3)4)9-13(5,6)8-10/h10-11H,7-9H2,1-6H3/t10-,11?/m1/s1.
What are the key properties of (5R)-3-tert-butyl-1,1,5-trimethylcyclohexane?
(5R)-3-tert-butyl-1,1,5-trimethylcyclohexane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-tert-butyl-1,1,5-trimethylcyclohexane is sourced from PubChem (CID 59984592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).