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

C11H22O — CID 118263170

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

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

(1R,2R,5R)-5-tert-butyl-2-methylcyclohexan-1-ol (PubChem CID 118263170) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (1R,2R,5R)-5-tert-butyl-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,5R)-5-tert-butyl-2-methylcyclohexan-1-ol
PubChem CID118263170
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(1R,2R,5R)-5-tert-butyl-2-methylcyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](C(C)(C)C)C[C@H]1O
InChIInChI=1S/C11H22O/c1-8-5-6-9(7-10(8)12)11(2,3)4/h8-10,12H,5-7H2,1-4H3/t8-,9-,10-/m1/s1
InChIKeyDDGAQRSUOKMPFQ-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)-5-(2-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol
CID 40512915
cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol
CID 59686945
5-tert-butyl-2,3-dimethylcyclohexan-1-ol
CID 58534407
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
1,3-ditert-butylcyclopentane;ethane
CID 161179598
trans-(1R,2R)-4-tert-butyl-2-fluorocyclohexan-1-ol
CID 130452306
potassium 2,5-dimethylcyclohexan-1-ol
CID 18764424
lithium 2,5-dimethylcyclohexan-1-ol
CID 18764144
trans-(1S,4S)-4-methylcyclohexane-1,3-diol
CID 142273228
(1R,2S,5S)-5-tert-butyl-2-deuterio-2-trimethylsilylcyclohexan-1-ol
CID 12632631
4-tert-butyl-2-(3,5-dimethylcyclohexyl)cyclohexan-1-ol
CID 79423962
(1S,2S,4R)-1-bromo-4-tert-butyl-2-methylcyclohexane
CID 15169266

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-5-tert-butyl-2-methylcyclohexan-1-ol?
The IUPAC name of (1R,2R,5R)-5-tert-butyl-2-methylcyclohexan-1-ol (CID 118263170) is (1R,2R,5R)-5-tert-butyl-2-methylcyclohexan-1-ol.
What is the SMILES notation for (1R,2R,5R)-5-tert-butyl-2-methylcyclohexan-1-ol?
The canonical SMILES for (1R,2R,5R)-5-tert-butyl-2-methylcyclohexan-1-ol is C[C@@H]1CC[C@@H](C(C)(C)C)C[C@H]1O.
What is the InChIKey of (1R,2R,5R)-5-tert-butyl-2-methylcyclohexan-1-ol?
The InChIKey is DDGAQRSUOKMPFQ-OPRDCNLKSA-N. The full InChI is InChI=1S/C11H22O/c1-8-5-6-9(7-10(8)12)11(2,3)4/h8-10,12H,5-7H2,1-4H3/t8-,9-,10-/m1/s1.
What are the key properties of (1R,2R,5R)-5-tert-butyl-2-methylcyclohexan-1-ol?
(1R,2R,5R)-5-tert-butyl-2-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,2R,5R)-5-tert-butyl-2-methylcyclohexan-1-ol is sourced from PubChem (CID 118263170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).