trans-(2R,6R)-2,6-ditert-butyl-4-methylcyclohexan-1-ol

C15H30O — CID 7037526

IUPACtrans-(2R,6R)-2,6-ditert-butyl-4-methylcyclohexan-1-ol
SMILESCC1C[C@H](C(C)(C)C)C(O)[C@@H](C(C)(C)C)C1
InChIInChI=1S/C15H30O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h10-13,16H,8-9H2,1-7H3/t10?,11-,12-,13?/m0/s1
InChIKeyOIXQKWDQCODZGF-ZFQMDJOTSA-N
MW226.40 g/mol
LogP4.10
Rot. Bonds

About trans-(2R,6R)-2,6-ditert-butyl-4-methylcyclohexan-1-ol

trans-(2R,6R)-2,6-ditert-butyl-4-methylcyclohexan-1-ol (PubChem CID 7037526) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is trans-(2R,6R)-2,6-ditert-butyl-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(2R,6R)-2,6-ditert-butyl-4-methylcyclohexan-1-ol
PubChem CID7037526
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Nametrans-(2R,6R)-2,6-ditert-butyl-4-methylcyclohexan-1-ol
SMILESCC1C[C@H](C(C)(C)C)C(O)[C@@H](C(C)(C)C)C1
InChIInChI=1S/C15H30O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h10-13,16H,8-9H2,1-7H3/t10?,11-,12-,13?/m0/s1
InChIKeyOIXQKWDQCODZGF-ZFQMDJOTSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze trans-(2R,6R)-2,6-ditert-butyl-4-methylcyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-6-ethyl-4-methylcyclohexan-1-ol
CID 123429982
3-tert-butylcyclobutane-1,2-diol
CID 12791413
2,6-ditert-butyl-4-(4-methylcyclohexyl)cyclohexan-1-ol;methane
CID 142421434
(1S,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
CID 92529738
1,3-ditert-butyl-5-methyl-2-propan-2-ylcyclohexane
CID 140714074
1,3-ditert-butyl-2,5-dimethylcyclohexane;ethane;methanethione
CID 144775424
(1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
CID 68635053
4,6-ditert-butylcyclohexane-1,3-diol
CID 169017952
2,7-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxycyclohexyl)cycloheptan-1-ol
CID 123258751
acetic acid;2-tert-butyl-4-methylcyclohexan-1-ol
CID 53446928
2,6-ditert-butyl-4-[6-(3,5-ditert-butyl-4-hydroxycyclohexyl)hexyl]cyclohexan-1-ol
CID 140706127
(1S,2S,4R)-2-fluoro-4-methylcyclopentan-1-ol
CID 176837705

Frequently Asked Questions

What is the IUPAC name of trans-(2R,6R)-2,6-ditert-butyl-4-methylcyclohexan-1-ol?
The IUPAC name of trans-(2R,6R)-2,6-ditert-butyl-4-methylcyclohexan-1-ol (CID 7037526) is trans-(2R,6R)-2,6-ditert-butyl-4-methylcyclohexan-1-ol.
What is the SMILES notation for trans-(2R,6R)-2,6-ditert-butyl-4-methylcyclohexan-1-ol?
The canonical SMILES for trans-(2R,6R)-2,6-ditert-butyl-4-methylcyclohexan-1-ol is CC1C[C@H](C(C)(C)C)C(O)[C@@H](C(C)(C)C)C1.
What is the InChIKey of trans-(2R,6R)-2,6-ditert-butyl-4-methylcyclohexan-1-ol?
The InChIKey is OIXQKWDQCODZGF-ZFQMDJOTSA-N. The full InChI is InChI=1S/C15H30O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h10-13,16H,8-9H2,1-7H3/t10?,11-,12-,13?/m0/s1.
What are the key properties of trans-(2R,6R)-2,6-ditert-butyl-4-methylcyclohexan-1-ol?
trans-(2R,6R)-2,6-ditert-butyl-4-methylcyclohexan-1-ol has a molecular weight of 226.40 g/mol, XLogP of 4.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,6R)-2,6-ditert-butyl-4-methylcyclohexan-1-ol is sourced from PubChem (CID 7037526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).