(4R,6R)-4-bromo-1-[(E)-2-bromoethenyl]-6-chloro-5,5-dimethylcyclohexene

C10H13Br2Cl — CID 163081048

IUPAC(4R,6R)-4-bromo-1-[(E)-2-bromoethenyl]-6-chloro-5,5-dimethylcyclohexene
SMILESCC1(C)[C@H](Br)CC=C(/C=C/Br)[C@H]1Cl
InChIInChI=1S/C10H13Br2Cl/c1-10(2)8(12)4-3-7(5-6-11)9(10)13/h3,5-6,8-9H,4H2,1-2H3/b6-5+/t8-,9-/m1/s1
InChIKeyQRJOULVKMXUYFZ-JKKBLNIGSA-N
MW328.48 g/mol
LogP4.62
Rot. Bonds1

About (4R,6R)-4-bromo-1-[(E)-2-bromoethenyl]-6-chloro-5,5-dimethylcyclohexene

(4R,6R)-4-bromo-1-[(E)-2-bromoethenyl]-6-chloro-5,5-dimethylcyclohexene (PubChem CID 163081048) has the molecular formula C10H13Br2Cl and a molecular weight of 328.48 g/mol. Its IUPAC name is (4R,6R)-4-bromo-1-[(E)-2-bromoethenyl]-6-chloro-5,5-dimethylcyclohexene.

Molecular Properties

Compound Name(4R,6R)-4-bromo-1-[(E)-2-bromoethenyl]-6-chloro-5,5-dimethylcyclohexene
PubChem CID163081048
Molecular FormulaC10H13Br2Cl
Molecular Weight328.48 g/mol
Exact Mass325.91
IUPAC Name(4R,6R)-4-bromo-1-[(E)-2-bromoethenyl]-6-chloro-5,5-dimethylcyclohexene
SMILESCC1(C)[C@H](Br)CC=C(/C=C/Br)[C@H]1Cl
InChIInChI=1S/C10H13Br2Cl/c1-10(2)8(12)4-3-7(5-6-11)9(10)13/h3,5-6,8-9H,4H2,1-2H3/b6-5+/t8-,9-/m1/s1
InChIKeyQRJOULVKMXUYFZ-JKKBLNIGSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.62
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,6R)-4-bromo-1-[(E)-2-bromoethenyl]-6-chloro-5,5-dimethylcyclohexene?
The IUPAC name of (4R,6R)-4-bromo-1-[(E)-2-bromoethenyl]-6-chloro-5,5-dimethylcyclohexene (CID 163081048) is (4R,6R)-4-bromo-1-[(E)-2-bromoethenyl]-6-chloro-5,5-dimethylcyclohexene.
What is the SMILES notation for (4R,6R)-4-bromo-1-[(E)-2-bromoethenyl]-6-chloro-5,5-dimethylcyclohexene?
The canonical SMILES for (4R,6R)-4-bromo-1-[(E)-2-bromoethenyl]-6-chloro-5,5-dimethylcyclohexene is CC1(C)[C@H](Br)CC=C(/C=C/Br)[C@H]1Cl.
What is the InChIKey of (4R,6R)-4-bromo-1-[(E)-2-bromoethenyl]-6-chloro-5,5-dimethylcyclohexene?
The InChIKey is QRJOULVKMXUYFZ-JKKBLNIGSA-N. The full InChI is InChI=1S/C10H13Br2Cl/c1-10(2)8(12)4-3-7(5-6-11)9(10)13/h3,5-6,8-9H,4H2,1-2H3/b6-5+/t8-,9-/m1/s1.
What are the key properties of (4R,6R)-4-bromo-1-[(E)-2-bromoethenyl]-6-chloro-5,5-dimethylcyclohexene?
(4R,6R)-4-bromo-1-[(E)-2-bromoethenyl]-6-chloro-5,5-dimethylcyclohexene has a molecular weight of 328.48 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4-bromo-1-[(E)-2-bromoethenyl]-6-chloro-5,5-dimethylcyclohexene is sourced from PubChem (CID 163081048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).