(1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol

C11H22O — CID 68635053

IUPAC(1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](C(C)(C)C)[C@H](O)C1
InChIInChI=1S/C11H22O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h8-10,12H,5-7H2,1-4H3/t8-,9-,10-/m1/s1
InChIKeyOLSGPMSPGKZAEI-OPRDCNLKSA-N
MW170.30 g/mol
LogP2.83
Rot. Bonds

About (1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol

(1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol (PubChem CID 68635053) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
PubChem CID68635053
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](C(C)(C)C)[C@H](O)C1
InChIInChI=1S/C11H22O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h8-10,12H,5-7H2,1-4H3/t8-,9-,10-/m1/s1
InChIKeyOLSGPMSPGKZAEI-OPRDCNLKSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
CID 92529738
(1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
CID 167591584
2-(2,3-dimethylbutan-2-yl)-5-methylcyclohexan-1-ol
CID 64766518
(1R)-4-methylcyclohexane-1,2-diol
CID 89138285
5-methyl-2-(2-methylpentan-2-yl)cyclohexan-1-ol
CID 64766519
2-[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]-2-methylpropanenitrile
CID 130129826
1-tert-butyl-2-fluoro-4-methylcyclohexane
CID 21027517
(1R,2S,5R)-2-[2-[(3R,4R)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10586997
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 12860618
(1R,2S,5R)-5-methyl-2-(2-methylpent-4-en-2-yl)cyclohexan-1-ol
CID 130130703
1-tert-butyl-4-methyl-2-prop-1-en-2-ylcyclohexane
CID 123864296

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol (CID 68635053) is (1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol is C[C@@H]1CC[C@@H](C(C)(C)C)[C@H](O)C1.
What is the InChIKey of (1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol?
The InChIKey is OLSGPMSPGKZAEI-OPRDCNLKSA-N. The full InChI is InChI=1S/C11H22O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h8-10,12H,5-7H2,1-4H3/t8-,9-,10-/m1/s1.
What are the key properties of (1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol?
(1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol has a molecular weight of 170.30 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol is sourced from PubChem (CID 68635053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).