(3R)-1,3-dibromo-3-methylcyclohexene

C7H10Br2 — CID 129163382

IUPAC(3R)-1,3-dibromo-3-methylcyclohexene
SMILESC[C@]1(Br)C=C(Br)CCC1
InChIInChI=1S/C7H10Br2/c1-7(9)4-2-3-6(8)5-7/h5H,2-4H2,1H3/t7-/m1/s1
InChIKeyJIYMFCNESQLLQH-SSDOTTSWSA-N
MW253.96 g/mol
LogP3.60
Rot. Bonds

About (3R)-1,3-dibromo-3-methylcyclohexene

(3R)-1,3-dibromo-3-methylcyclohexene (PubChem CID 129163382) has the molecular formula C7H10Br2 and a molecular weight of 253.96 g/mol. Its IUPAC name is (3R)-1,3-dibromo-3-methylcyclohexene.

Molecular Properties

Compound Name(3R)-1,3-dibromo-3-methylcyclohexene
PubChem CID129163382
Molecular FormulaC7H10Br2
Molecular Weight253.96 g/mol
Exact Mass251.91
IUPAC Name(3R)-1,3-dibromo-3-methylcyclohexene
SMILESC[C@]1(Br)C=C(Br)CCC1
InChIInChI=1S/C7H10Br2/c1-7(9)4-2-3-6(8)5-7/h5H,2-4H2,1H3/t7-/m1/s1
InChIKeyJIYMFCNESQLLQH-SSDOTTSWSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.96
LogP ≤ 53.60
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 (3R)-1,3-dibromo-3-methylcyclohexene?
The IUPAC name of (3R)-1,3-dibromo-3-methylcyclohexene (CID 129163382) is (3R)-1,3-dibromo-3-methylcyclohexene.
What is the SMILES notation for (3R)-1,3-dibromo-3-methylcyclohexene?
The canonical SMILES for (3R)-1,3-dibromo-3-methylcyclohexene is C[C@]1(Br)C=C(Br)CCC1.
What is the InChIKey of (3R)-1,3-dibromo-3-methylcyclohexene?
The InChIKey is JIYMFCNESQLLQH-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H10Br2/c1-7(9)4-2-3-6(8)5-7/h5H,2-4H2,1H3/t7-/m1/s1.
What are the key properties of (3R)-1,3-dibromo-3-methylcyclohexene?
(3R)-1,3-dibromo-3-methylcyclohexene has a molecular weight of 253.96 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-dibromo-3-methylcyclohexene is sourced from PubChem (CID 129163382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).