trans-(1R,2S)-1-(dibromomethyl)-2-methylcyclohexan-1-ol

C8H14Br2O — CID 102528583

IUPACtrans-(1R,2S)-1-(dibromomethyl)-2-methylcyclohexan-1-ol
SMILESC[C@H]1CCCC[C@]1(O)C(Br)Br
InChIInChI=1S/C8H14Br2O/c1-6-4-2-3-5-8(6,11)7(9)10/h6-7,11H,2-5H2,1H3/t6-,8+/m0/s1
InChIKeyVKMLKVAQKIRJHG-POYBYMJQSA-N
MW286.01 g/mol
LogP3.04
Rot. Bonds1

About trans-(1R,2S)-1-(dibromomethyl)-2-methylcyclohexan-1-ol

trans-(1R,2S)-1-(dibromomethyl)-2-methylcyclohexan-1-ol (PubChem CID 102528583) has the molecular formula C8H14Br2O and a molecular weight of 286.01 g/mol. Its IUPAC name is trans-(1R,2S)-1-(dibromomethyl)-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-1-(dibromomethyl)-2-methylcyclohexan-1-ol
PubChem CID102528583
Molecular FormulaC8H14Br2O
Molecular Weight286.01 g/mol
Exact Mass283.94
IUPAC Nametrans-(1R,2S)-1-(dibromomethyl)-2-methylcyclohexan-1-ol
SMILESC[C@H]1CCCC[C@]1(O)C(Br)Br
InChIInChI=1S/C8H14Br2O/c1-6-4-2-3-5-8(6,11)7(9)10/h6-7,11H,2-5H2,1H3/t6-,8+/m0/s1
InChIKeyVKMLKVAQKIRJHG-POYBYMJQSA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.01
LogP ≤ 53.04
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

2-methyl-1-propan-2-ylcyclohexan-1-ol
CID 19833595
2-(1-hydroxy-2-methylcyclohexyl)-3-methylbutanoic acid
CID 62397827
cis-(1R,2R)-2-methyl-1-(tribromomethyl)cyclohexan-1-ol
CID 125486764
1-cyclohexyl-2-methylcyclohexan-1-ol
CID 43809284
1,1-dibromo-2-methylcycloheptane
CID 70854356
methanol;1,1,2-trimethylcyclohexane
CID 70292509
2-methyl-1-(1-methylcyclononyl)cyclotetradecan-1-ol
CID 130369263
cis-(1R,2S)-1-(aminomethyl)-2-methylcyclohexan-1-ol
CID 93046973
(9R)-9-methylspiro[3.5]nonane
CID 140885739
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
1,1-difluoro-2-methylcyclohexane
CID 15044189
1,1,2-trimethylcycloundecane
CID 544748

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-(dibromomethyl)-2-methylcyclohexan-1-ol?
The IUPAC name of trans-(1R,2S)-1-(dibromomethyl)-2-methylcyclohexan-1-ol (CID 102528583) is trans-(1R,2S)-1-(dibromomethyl)-2-methylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2S)-1-(dibromomethyl)-2-methylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,2S)-1-(dibromomethyl)-2-methylcyclohexan-1-ol is C[C@H]1CCCC[C@]1(O)C(Br)Br.
What is the InChIKey of trans-(1R,2S)-1-(dibromomethyl)-2-methylcyclohexan-1-ol?
The InChIKey is VKMLKVAQKIRJHG-POYBYMJQSA-N. The full InChI is InChI=1S/C8H14Br2O/c1-6-4-2-3-5-8(6,11)7(9)10/h6-7,11H,2-5H2,1H3/t6-,8+/m0/s1.
What are the key properties of trans-(1R,2S)-1-(dibromomethyl)-2-methylcyclohexan-1-ol?
trans-(1R,2S)-1-(dibromomethyl)-2-methylcyclohexan-1-ol has a molecular weight of 286.01 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-(dibromomethyl)-2-methylcyclohexan-1-ol is sourced from PubChem (CID 102528583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).