(4R,6S)-4-bromo-6-chloro-1-ethenyl-5,5-dimethylcyclohexene

C10H14BrCl — CID 162858063

IUPAC(4R,6S)-4-bromo-6-chloro-1-ethenyl-5,5-dimethylcyclohexene
SMILESC=CC1=CC[C@@H](Br)C(C)(C)[C@H]1Cl
InChIInChI=1S/C10H14BrCl/c1-4-7-5-6-8(11)10(2,3)9(7)12/h4-5,8-9H,1,6H2,2-3H3/t8-,9+/m1/s1
InChIKeyOJGKICRNORIFDM-BDAKNGLRSA-N
MW249.58 g/mol
LogP3.90
Rot. Bonds1

About (4R,6S)-4-bromo-6-chloro-1-ethenyl-5,5-dimethylcyclohexene

(4R,6S)-4-bromo-6-chloro-1-ethenyl-5,5-dimethylcyclohexene (PubChem CID 162858063) has the molecular formula C10H14BrCl and a molecular weight of 249.58 g/mol. Its IUPAC name is (4R,6S)-4-bromo-6-chloro-1-ethenyl-5,5-dimethylcyclohexene.

Molecular Properties

Compound Name(4R,6S)-4-bromo-6-chloro-1-ethenyl-5,5-dimethylcyclohexene
PubChem CID162858063
Molecular FormulaC10H14BrCl
Molecular Weight249.58 g/mol
Exact Mass248.00
IUPAC Name(4R,6S)-4-bromo-6-chloro-1-ethenyl-5,5-dimethylcyclohexene
SMILESC=CC1=CC[C@@H](Br)C(C)(C)[C@H]1Cl
InChIInChI=1S/C10H14BrCl/c1-4-7-5-6-8(11)10(2,3)9(7)12/h4-5,8-9H,1,6H2,2-3H3/t8-,9+/m1/s1
InChIKeyOJGKICRNORIFDM-BDAKNGLRSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.58
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4-bromo-6-chloro-1-ethenyl-5,5-dimethylcyclohexene?
The IUPAC name of (4R,6S)-4-bromo-6-chloro-1-ethenyl-5,5-dimethylcyclohexene (CID 162858063) is (4R,6S)-4-bromo-6-chloro-1-ethenyl-5,5-dimethylcyclohexene.
What is the SMILES notation for (4R,6S)-4-bromo-6-chloro-1-ethenyl-5,5-dimethylcyclohexene?
The canonical SMILES for (4R,6S)-4-bromo-6-chloro-1-ethenyl-5,5-dimethylcyclohexene is C=CC1=CC[C@@H](Br)C(C)(C)[C@H]1Cl.
What is the InChIKey of (4R,6S)-4-bromo-6-chloro-1-ethenyl-5,5-dimethylcyclohexene?
The InChIKey is OJGKICRNORIFDM-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H14BrCl/c1-4-7-5-6-8(11)10(2,3)9(7)12/h4-5,8-9H,1,6H2,2-3H3/t8-,9+/m1/s1.
What are the key properties of (4R,6S)-4-bromo-6-chloro-1-ethenyl-5,5-dimethylcyclohexene?
(4R,6S)-4-bromo-6-chloro-1-ethenyl-5,5-dimethylcyclohexene has a molecular weight of 249.58 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-bromo-6-chloro-1-ethenyl-5,5-dimethylcyclohexene is sourced from PubChem (CID 162858063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).