trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane

C11H22 — CID 102398260

IUPACtrans-(1R,2R)-1-tert-butyl-2-methylcyclohexane
SMILESC[C@@H]1CCCC[C@H]1C(C)(C)C
InChIInChI=1S/C11H22/c1-9-7-5-6-8-10(9)11(2,3)4/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyVHAMEZDBTNFIIU-NXEZZACHSA-N
MW154.30 g/mol
LogP3.86
Rot. Bonds

About trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane

trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane (PubChem CID 102398260) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-tert-butyl-2-methylcyclohexane
PubChem CID102398260
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Nametrans-(1R,2R)-1-tert-butyl-2-methylcyclohexane
SMILESC[C@@H]1CCCC[C@H]1C(C)(C)C
InChIInChI=1S/C11H22/c1-9-7-5-6-8-10(9)11(2,3)4/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyVHAMEZDBTNFIIU-NXEZZACHSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R)-1-tert-butyl-2-methylcyclopentane
CID 59875251
4-tert-butyl-5-methylcyclononan-1-amine
CID 175635509
5-tert-butyl-4-methylcyclooctan-1-amine
CID 175635893
1-methyl-2-(trifluoromethyl)cyclohexane
CID 18711399
1-methyl-2-(3-methylpentan-3-yl)cyclohexane
CID 123475804
cis-(1R,2R)-2-tert-butylcyclohexan-1-ol
CID 6995536
[(1S,2S)-2-tert-butylcyclohexyl]azanium
CID 7740789
(2R)-2-amino-2-(2-methylcyclohexyl)propanoic acid
CID 172766899
1-tert-butyl-2-propan-2-ylcyclohexane
CID 59820112
2-tert-butylcyclohexan-1-amine;methane
CID 158774532
1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane
CID 161041308
1,2-dimethylcyclohexane;vanadium
CID 142004480

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane?
The IUPAC name of trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane (CID 102398260) is trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane.
What is the SMILES notation for trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane?
The canonical SMILES for trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane is C[C@@H]1CCCC[C@H]1C(C)(C)C.
What is the InChIKey of trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane?
The InChIKey is VHAMEZDBTNFIIU-NXEZZACHSA-N. The full InChI is InChI=1S/C11H22/c1-9-7-5-6-8-10(9)11(2,3)4/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane?
trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane has a molecular weight of 154.30 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane is sourced from PubChem (CID 102398260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).