(3R,5R)-3-bromo-5-methylcyclohexene

C7H11Br — CID 5325852

IUPAC(3R,5R)-3-bromo-5-methylcyclohexene
SMILESC[C@@H]1CC=C[C@H](Br)C1
InChIInChI=1S/C7H11Br/c1-6-3-2-4-7(8)5-6/h2,4,6-7H,3,5H2,1H3/t6-,7+/m1/s1
InChIKeyZHHONHRJGHGUHN-RQJHMYQMSA-N
MW175.07 g/mol
LogP2.74
Rot. Bonds

About (3R,5R)-3-bromo-5-methylcyclohexene

(3R,5R)-3-bromo-5-methylcyclohexene (PubChem CID 5325852) has the molecular formula C7H11Br and a molecular weight of 175.07 g/mol. Its IUPAC name is (3R,5R)-3-bromo-5-methylcyclohexene.

Molecular Properties

Compound Name(3R,5R)-3-bromo-5-methylcyclohexene
PubChem CID5325852
Molecular FormulaC7H11Br
Molecular Weight175.07 g/mol
Exact Mass174.00
IUPAC Name(3R,5R)-3-bromo-5-methylcyclohexene
SMILESC[C@@H]1CC=C[C@H](Br)C1
InChIInChI=1S/C7H11Br/c1-6-3-2-4-7(8)5-6/h2,4,6-7H,3,5H2,1H3/t6-,7+/m1/s1
InChIKeyZHHONHRJGHGUHN-RQJHMYQMSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.07
LogP ≤ 52.74
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

(5R)-3,5-dimethylcyclohexene
CID 142981274
(3S,5S)-3,5-dibromocyclopentene
CID 101354603
4-methylcyclopentene;oxophosphane
CID 175055525
3-methylcyclobutene;sulfane
CID 90110313
(S)-cyclohexyl-[(1R,5R)-5-methylcyclohex-2-en-1-yl]methanol
CID 101050160
8,9-dimethyltricyclo[5.2.1.02,6]dec-3-ene
CID 22949638
(R)-[(1S,5R)-5-methylcyclohex-2-en-1-yl]-phenylmethanol
CID 10608189
(3Z)-6,13-dimethylbicyclo[6.5.0]trideca-3,10-diene
CID 140696480
[(1R,5S)-1-deuterio-5-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane
CID 101414090
(4S)-3,4-dimethylcyclopentene
CID 145216424
1-bromo-3-methylcyclobutane
CID 14372773
5-bromo-3-fluorocyclohexene
CID 89127778

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-bromo-5-methylcyclohexene?
The IUPAC name of (3R,5R)-3-bromo-5-methylcyclohexene (CID 5325852) is (3R,5R)-3-bromo-5-methylcyclohexene.
What is the SMILES notation for (3R,5R)-3-bromo-5-methylcyclohexene?
The canonical SMILES for (3R,5R)-3-bromo-5-methylcyclohexene is C[C@@H]1CC=C[C@H](Br)C1.
What is the InChIKey of (3R,5R)-3-bromo-5-methylcyclohexene?
The InChIKey is ZHHONHRJGHGUHN-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H11Br/c1-6-3-2-4-7(8)5-6/h2,4,6-7H,3,5H2,1H3/t6-,7+/m1/s1.
What are the key properties of (3R,5R)-3-bromo-5-methylcyclohexene?
(3R,5R)-3-bromo-5-methylcyclohexene has a molecular weight of 175.07 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-bromo-5-methylcyclohexene is sourced from PubChem (CID 5325852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).