cis-(1S,4R)-4-bromo-2,2-dichloro-6,6-dimethylcyclohexan-1-ol

C8H13BrCl2O — CID 22213939

IUPACcis-(1S,4R)-4-bromo-2,2-dichloro-6,6-dimethylcyclohexan-1-ol
SMILESCC1(C)C[C@@H](Br)CC(Cl)(Cl)[C@H]1O
InChIInChI=1S/C8H13BrCl2O/c1-7(2)3-5(9)4-8(10,11)6(7)12/h5-6,12H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyFBIVSCUWJVXGJR-RITPCOANSA-N
MW276.00 g/mol
LogP3.10
Rot. Bonds

About cis-(1S,4R)-4-bromo-2,2-dichloro-6,6-dimethylcyclohexan-1-ol

cis-(1S,4R)-4-bromo-2,2-dichloro-6,6-dimethylcyclohexan-1-ol (PubChem CID 22213939) has the molecular formula C8H13BrCl2O and a molecular weight of 276.00 g/mol. Its IUPAC name is cis-(1S,4R)-4-bromo-2,2-dichloro-6,6-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,4R)-4-bromo-2,2-dichloro-6,6-dimethylcyclohexan-1-ol
PubChem CID22213939
Molecular FormulaC8H13BrCl2O
Molecular Weight276.00 g/mol
Exact Mass273.95
IUPAC Namecis-(1S,4R)-4-bromo-2,2-dichloro-6,6-dimethylcyclohexan-1-ol
SMILESCC1(C)C[C@@H](Br)CC(Cl)(Cl)[C@H]1O
InChIInChI=1S/C8H13BrCl2O/c1-7(2)3-5(9)4-8(10,11)6(7)12/h5-6,12H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyFBIVSCUWJVXGJR-RITPCOANSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.00
LogP ≤ 53.10
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

2,2-dichlorocyclopropan-1-ol
CID 13351707
(3R,4aR,6R,8aS)-6-bromo-3,8,8-trimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-4a-ol
CID 11587174
2-bromospiro[3.3]heptan-6-ol
CID 155390894
3,3-dimethylcyclobutane-1,2-diol
CID 12791421
carbonic acid;1,1-dichloro-2-methylcyclopropane
CID 68873513
1,3-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol
CID 130152486
trans-(1R,2R)-3,3,5,5-tetramethylcyclopentane-1,2-diol
CID 71370676
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
3-[(2,2-dichlorocyclopropyl)methyl-methylamino]cyclobutan-1-ol
CID 130708462
(1R)-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 28875815
trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid
CID 6355513
(2-bromo-1-methylcyclopropyl)methanol
CID 12502936

Frequently Asked Questions

What is the IUPAC name of cis-(1S,4R)-4-bromo-2,2-dichloro-6,6-dimethylcyclohexan-1-ol?
The IUPAC name of cis-(1S,4R)-4-bromo-2,2-dichloro-6,6-dimethylcyclohexan-1-ol (CID 22213939) is cis-(1S,4R)-4-bromo-2,2-dichloro-6,6-dimethylcyclohexan-1-ol.
What is the SMILES notation for cis-(1S,4R)-4-bromo-2,2-dichloro-6,6-dimethylcyclohexan-1-ol?
The canonical SMILES for cis-(1S,4R)-4-bromo-2,2-dichloro-6,6-dimethylcyclohexan-1-ol is CC1(C)C[C@@H](Br)CC(Cl)(Cl)[C@H]1O.
What is the InChIKey of cis-(1S,4R)-4-bromo-2,2-dichloro-6,6-dimethylcyclohexan-1-ol?
The InChIKey is FBIVSCUWJVXGJR-RITPCOANSA-N. The full InChI is InChI=1S/C8H13BrCl2O/c1-7(2)3-5(9)4-8(10,11)6(7)12/h5-6,12H,3-4H2,1-2H3/t5-,6+/m1/s1.
What are the key properties of cis-(1S,4R)-4-bromo-2,2-dichloro-6,6-dimethylcyclohexan-1-ol?
cis-(1S,4R)-4-bromo-2,2-dichloro-6,6-dimethylcyclohexan-1-ol has a molecular weight of 276.00 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,4R)-4-bromo-2,2-dichloro-6,6-dimethylcyclohexan-1-ol is sourced from PubChem (CID 22213939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).