4,5-dibromo-1-methylcyclohexene

C7H10Br2 — CID 10422412

IUPAC4,5-dibromo-1-methylcyclohexene
SMILESCC1=CCC(Br)C(Br)C1
InChIInChI=1S/C7H10Br2/c1-5-2-3-6(8)7(9)4-5/h2,6-7H,3-4H2,1H3
InChIKeyKKBHDRIINUVPQL-UHFFFAOYSA-N
MW253.96 g/mol
LogP3.25
Rot. Bonds

About 4,5-dibromo-1-methylcyclohexene

4,5-dibromo-1-methylcyclohexene (PubChem CID 10422412) has the molecular formula C7H10Br2 and a molecular weight of 253.96 g/mol. Its IUPAC name is 4,5-dibromo-1-methylcyclohexene.

Molecular Properties

Compound Name4,5-dibromo-1-methylcyclohexene
PubChem CID10422412
Molecular FormulaC7H10Br2
Molecular Weight253.96 g/mol
Exact Mass251.91
IUPAC Name4,5-dibromo-1-methylcyclohexene
SMILESCC1=CCC(Br)C(Br)C1
InChIInChI=1S/C7H10Br2/c1-5-2-3-6(8)7(9)4-5/h2,6-7H,3-4H2,1H3
InChIKeyKKBHDRIINUVPQL-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-1,4,5-trimethylcyclohexene
CID 13226239
4-iodo-1-methylcyclopentene
CID 144823254
(5R)-4,5-dichloro-1-methylcyclohexene
CID 118474866
(4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;methane
CID 159750866
(1S,2S)-4-methylcyclohex-4-ene-1,2-diamine;molecular hydrogen
CID 142330140
(3aS,7aR)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole
CID 25219519
[(1S,6R)-6-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol
CID 67908983
5-methyl-3a,4,7,7a-tetrahydroindene-1,2,3-trione
CID 101096225
(1S,2R)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid
CID 787405
(2S,7R,8S)-4-methyltricyclo[6.2.1.02,7]undec-4-ene
CID 90896353
carbonic acid;1,4,5-trimethylcyclohexene
CID 70461884
1,3-dimethylcyclobutane;1,3-dimethylcyclopentane;1,4-dimethylcyclopentene;1,2-dimethylcyclopropane;2,6-dimethylspiro[3.3]heptane;methane
CID 157153459

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-1-methylcyclohexene?
The IUPAC name of 4,5-dibromo-1-methylcyclohexene (CID 10422412) is 4,5-dibromo-1-methylcyclohexene.
What is the SMILES notation for 4,5-dibromo-1-methylcyclohexene?
The canonical SMILES for 4,5-dibromo-1-methylcyclohexene is CC1=CCC(Br)C(Br)C1.
What is the InChIKey of 4,5-dibromo-1-methylcyclohexene?
The InChIKey is KKBHDRIINUVPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Br2/c1-5-2-3-6(8)7(9)4-5/h2,6-7H,3-4H2,1H3.
What are the key properties of 4,5-dibromo-1-methylcyclohexene?
4,5-dibromo-1-methylcyclohexene has a molecular weight of 253.96 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-1-methylcyclohexene is sourced from PubChem (CID 10422412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).