cis-(1R,2R)-2-methyl-1-(tribromomethyl)cyclohexan-1-ol

C8H13Br3O — CID 125486764

IUPACcis-(1R,2R)-2-methyl-1-(tribromomethyl)cyclohexan-1-ol
SMILESC[C@@H]1CCCC[C@]1(O)C(Br)(Br)Br
InChIInChI=1S/C8H13Br3O/c1-6-4-2-3-5-7(6,12)8(9,10)11/h6,12H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyCUHJSONCIGGRHK-RNFRBKRXSA-N
MW364.90 g/mol
LogP3.77
Rot. Bonds

About cis-(1R,2R)-2-methyl-1-(tribromomethyl)cyclohexan-1-ol

cis-(1R,2R)-2-methyl-1-(tribromomethyl)cyclohexan-1-ol (PubChem CID 125486764) has the molecular formula C8H13Br3O and a molecular weight of 364.90 g/mol. Its IUPAC name is cis-(1R,2R)-2-methyl-1-(tribromomethyl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-methyl-1-(tribromomethyl)cyclohexan-1-ol
PubChem CID125486764
Molecular FormulaC8H13Br3O
Molecular Weight364.90 g/mol
Exact Mass361.85
IUPAC Namecis-(1R,2R)-2-methyl-1-(tribromomethyl)cyclohexan-1-ol
SMILESC[C@@H]1CCCC[C@]1(O)C(Br)(Br)Br
InChIInChI=1S/C8H13Br3O/c1-6-4-2-3-5-7(6,12)8(9,10)11/h6,12H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyCUHJSONCIGGRHK-RNFRBKRXSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.77
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

trans-(1R,2S)-1-(dibromomethyl)-2-methylcyclohexan-1-ol
CID 102528583
trans-(1S,2S)-1-tert-butylcyclohexane-1,2-diol
CID 11969728
2-methyl-1-propan-2-ylcyclohexan-1-ol
CID 19833595
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
1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol
CID 67592724
2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 62789048
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-methyl-1-(tribromomethyl)cyclohexan-1-ol?
The IUPAC name of cis-(1R,2R)-2-methyl-1-(tribromomethyl)cyclohexan-1-ol (CID 125486764) is cis-(1R,2R)-2-methyl-1-(tribromomethyl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-methyl-1-(tribromomethyl)cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-methyl-1-(tribromomethyl)cyclohexan-1-ol is C[C@@H]1CCCC[C@]1(O)C(Br)(Br)Br.
What is the InChIKey of cis-(1R,2R)-2-methyl-1-(tribromomethyl)cyclohexan-1-ol?
The InChIKey is CUHJSONCIGGRHK-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H13Br3O/c1-6-4-2-3-5-7(6,12)8(9,10)11/h6,12H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of cis-(1R,2R)-2-methyl-1-(tribromomethyl)cyclohexan-1-ol?
cis-(1R,2R)-2-methyl-1-(tribromomethyl)cyclohexan-1-ol has a molecular weight of 364.90 g/mol, XLogP of 3.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-methyl-1-(tribromomethyl)cyclohexan-1-ol is sourced from PubChem (CID 125486764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).