trans-(1R,2R)-2-bromocyclohexan-1-ol

C6H11BrO — CID 10866921

IUPACtrans-(1R,2R)-2-bromocyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Br
InChIInChI=1S/C6H11BrO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4H2/t5-,6-/m1/s1
InChIKeyAAMCLCZHZXKWRV-PHDIDXHHSA-N
MW179.06 g/mol
LogP1.68
Rot. Bonds

About trans-(1R,2R)-2-bromocyclohexan-1-ol

trans-(1R,2R)-2-bromocyclohexan-1-ol (PubChem CID 10866921) has the molecular formula C6H11BrO and a molecular weight of 179.06 g/mol. Its IUPAC name is trans-(1R,2R)-2-bromocyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-bromocyclohexan-1-ol
PubChem CID10866921
Molecular FormulaC6H11BrO
Molecular Weight179.06 g/mol
Exact Mass178.00
IUPAC Nametrans-(1R,2R)-2-bromocyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Br
InChIInChI=1S/C6H11BrO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4H2/t5-,6-/m1/s1
InChIKeyAAMCLCZHZXKWRV-PHDIDXHHSA-N
XLogP1.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.06
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-bromocyclododecan-1-ol
CID 177392734
trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
CID 121492980
1,2-dibromocyclododecane
CID 13111000
1,2-dibromocyclodecane
CID 73175476
trans-(1S,2S)-cyclooctane-1,2-diol
CID 7273013
cycloundecane-1,2-diol
CID 67185134
(2S)-1,2-bis(2-bromocyclohexyl)ethane-1,2-diol
CID 140533314
1,2,5,6,9,10-hexabromocyclooctadecane
CID 101354867
(1S,2S,3S,4S,5S,6S)-1,2,3,4,5,6-hexabromocyclododecane
CID 76964962
cyclohexane-1,2-diol;ethane;propane
CID 143149782
cis-(1S,2R)-2-aminocyclohexan-1-ol
CID 2724651
alumane;1,2,3,4,5,6-hexabromocyclododecane
CID 174675099

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-bromocyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-bromocyclohexan-1-ol (CID 10866921) is trans-(1R,2R)-2-bromocyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-bromocyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-bromocyclohexan-1-ol is O[C@@H]1CCCC[C@H]1Br.
What is the InChIKey of trans-(1R,2R)-2-bromocyclohexan-1-ol?
The InChIKey is AAMCLCZHZXKWRV-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11BrO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4H2/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-2-bromocyclohexan-1-ol?
trans-(1R,2R)-2-bromocyclohexan-1-ol has a molecular weight of 179.06 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-bromocyclohexan-1-ol is sourced from PubChem (CID 10866921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).