(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol

C8H16O — CID 12794034

IUPAC(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
SMILESC[C@H]1CC[C@@H](C)[C@H](O)C1
InChIInChI=1S/C8H16O/c1-6-3-4-7(2)8(9)5-6/h6-9H,3-5H2,1-2H3/t6-,7+,8+/m0/s1
InChIKeyRUADGOLRFXTMCY-XLPZGREQSA-N
MW128.22 g/mol
LogP1.80
Rot. Bonds

About (1R,2R,5S)-2,5-dimethylcyclohexan-1-ol

(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol (PubChem CID 12794034) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is (1R,2R,5S)-2,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
PubChem CID12794034
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
SMILESC[C@H]1CC[C@@H](C)[C@H](O)C1
InChIInChI=1S/C8H16O/c1-6-3-4-7(2)8(9)5-6/h6-9H,3-5H2,1-2H3/t6-,7+,8+/m0/s1
InChIKeyRUADGOLRFXTMCY-XLPZGREQSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

potassium 2,5-dimethylcyclohexan-1-ol
CID 18764424
lithium 2,5-dimethylcyclohexan-1-ol
CID 18764144
2,5-dimethylcyclohexan-1-ol;propane
CID 142087287
(1R)-4-methylcyclohexane-1,2-diol
CID 89138285
(1S,2S,4S)-2,4-dimethylcyclohexan-1-ol
CID 12779508
(1R,2S,4R)-2,4-dimethylcyclohexan-1-ol
CID 12779510
cis-(1S,4R)-2,4-dimethylcyclohexan-1-ol
CID 172581179
(1S)-2,4-dimethylcyclohexan-1-ol
CID 143035345
trans-(1S,4S)-4-methylcyclohexane-1,3-diol
CID 142273228
(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
1-tert-butylbicyclo[1.1.1]pentane;(1R,2R,5R)-2,5-dimethylcyclohexan-1-ol;2,2,3,3-tetramethylbutane
CID 157064714
2-fluoro-5-methylcyclohexan-1-ol
CID 89088193

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-2,5-dimethylcyclohexan-1-ol?
The IUPAC name of (1R,2R,5S)-2,5-dimethylcyclohexan-1-ol (CID 12794034) is (1R,2R,5S)-2,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for (1R,2R,5S)-2,5-dimethylcyclohexan-1-ol?
The canonical SMILES for (1R,2R,5S)-2,5-dimethylcyclohexan-1-ol is C[C@H]1CC[C@@H](C)[C@H](O)C1.
What is the InChIKey of (1R,2R,5S)-2,5-dimethylcyclohexan-1-ol?
The InChIKey is RUADGOLRFXTMCY-XLPZGREQSA-N. The full InChI is InChI=1S/C8H16O/c1-6-3-4-7(2)8(9)5-6/h6-9H,3-5H2,1-2H3/t6-,7+,8+/m0/s1.
What are the key properties of (1R,2R,5S)-2,5-dimethylcyclohexan-1-ol?
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol has a molecular weight of 128.22 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-2,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 12794034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).