(3S,5S)-3,5-dibromocyclopentene

C5H6Br2 — CID 101354603

IUPAC(3S,5S)-3,5-dibromocyclopentene
SMILESBr[C@@H]1C=C[C@@H](Br)C1
InChIInChI=1S/C5H6Br2/c6-4-1-2-5(7)3-4/h1-2,4-5H,3H2/t4-,5-/m1/s1
InChIKeyAKAJVSSDORNOIX-RFZPGFLSSA-N
MW225.91 g/mol
LogP2.47
Rot. Bonds

About (3S,5S)-3,5-dibromocyclopentene

(3S,5S)-3,5-dibromocyclopentene (PubChem CID 101354603) has the molecular formula C5H6Br2 and a molecular weight of 225.91 g/mol. Its IUPAC name is (3S,5S)-3,5-dibromocyclopentene.

Molecular Properties

Compound Name(3S,5S)-3,5-dibromocyclopentene
PubChem CID101354603
Molecular FormulaC5H6Br2
Molecular Weight225.91 g/mol
Exact Mass223.88
IUPAC Name(3S,5S)-3,5-dibromocyclopentene
SMILESBr[C@@H]1C=C[C@@H](Br)C1
InChIInChI=1S/C5H6Br2/c6-4-1-2-5(7)3-4/h1-2,4-5H,3H2/t4-,5-/m1/s1
InChIKeyAKAJVSSDORNOIX-RFZPGFLSSA-N
XLogP2.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.91
LogP ≤ 52.47
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

(3R,5R)-3-bromo-5-methylcyclohexene
CID 5325852
2-bromo-2,3,3a,7a-tetrahydro-1H-indene
CID 91335355
3,4-dibromocyclobutene
CID 542850
5-bromocyclohexa-1,3-diene
CID 527557
(1R,4R)-4-bromocyclohex-2-ene-1-carboxylic acid
CID 124673169
1-[(4S)-4-bromocyclohex-2-en-1-yl]ethanone
CID 90274184
5-bromo-3-ethyl-3-methylcyclopentene
CID 12937435
bicyclo[2.2.2]oct-2-ene
CID 13608
(1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626622
(1R,2S,5R,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626620
14-bromopentacyclo[8.2.1.15,8.02,6.02,9]tetradec-11-ene
CID 57025847
5-bromo-3-fluorocyclohexene
CID 89127778

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3,5-dibromocyclopentene?
The IUPAC name of (3S,5S)-3,5-dibromocyclopentene (CID 101354603) is (3S,5S)-3,5-dibromocyclopentene.
What is the SMILES notation for (3S,5S)-3,5-dibromocyclopentene?
The canonical SMILES for (3S,5S)-3,5-dibromocyclopentene is Br[C@@H]1C=C[C@@H](Br)C1.
What is the InChIKey of (3S,5S)-3,5-dibromocyclopentene?
The InChIKey is AKAJVSSDORNOIX-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H6Br2/c6-4-1-2-5(7)3-4/h1-2,4-5H,3H2/t4-,5-/m1/s1.
What are the key properties of (3S,5S)-3,5-dibromocyclopentene?
(3S,5S)-3,5-dibromocyclopentene has a molecular weight of 225.91 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3,5-dibromocyclopentene is sourced from PubChem (CID 101354603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).