(1S,4E,8S)-9,9-dibromobicyclo[6.1.0]non-4-ene

C9H12Br2 — CID 98156795

IUPAC(1S,4E,8S)-9,9-dibromobicyclo[6.1.0]non-4-ene
SMILESBrC1(Br)[C@H]2CC/C=C\CC[C@@H]21
InChIInChI=1S/C9H12Br2/c10-9(11)7-5-3-1-2-4-6-8(7)9/h1-2,7-8H,3-6H2/b2-1-/t7-,8-/m0/s1
InChIKeySTKCBSOKXZTMOU-BNPBDYDZSA-N
MW280.00 g/mol
LogP3.85
Rot. Bonds

About (1S,4E,8S)-9,9-dibromobicyclo[6.1.0]non-4-ene

(1S,4E,8S)-9,9-dibromobicyclo[6.1.0]non-4-ene (PubChem CID 98156795) has the molecular formula C9H12Br2 and a molecular weight of 280.00 g/mol. Its IUPAC name is (1S,4E,8S)-9,9-dibromobicyclo[6.1.0]non-4-ene.

Molecular Properties

Compound Name(1S,4E,8S)-9,9-dibromobicyclo[6.1.0]non-4-ene
PubChem CID98156795
Molecular FormulaC9H12Br2
Molecular Weight280.00 g/mol
Exact Mass277.93
IUPAC Name(1S,4E,8S)-9,9-dibromobicyclo[6.1.0]non-4-ene
SMILESBrC1(Br)[C@H]2CC/C=C\CC[C@@H]21
InChIInChI=1S/C9H12Br2/c10-9(11)7-5-3-1-2-4-6-8(7)9/h1-2,7-8H,3-6H2/b2-1-/t7-,8-/m0/s1
InChIKeySTKCBSOKXZTMOU-BNPBDYDZSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.00
LogP ≤ 53.85
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

(1R,4R,6S,9S)-5,5,10,10-tetrabromotricyclo[7.1.0.04,6]decane
CID 1220422
11,11-dibromobicyclo[8.1.0]undecane
CID 12759798
10,10-dibromobicyclo[7.1.0]decane
CID 12759792
(1S,5S)-6,6-dibromo-3-azabicyclo[3.1.0]hexane
CID 125424367
(1S,4E,8S)-9-bromobicyclo[6.1.0]non-4-ene
CID 98551912
cyclohept-4-en-1-ylmethanol
CID 12630426
(1S,8S)-bicyclo[6.1.0]non-4-ene
CID 95564639
4-cyclohept-4-en-1-yl-3,3-dimethylcycloheptene
CID 54052123
4-bromocycloheptene
CID 12585847
(4Z)-cyclooct-4-en-1-ol
CID 5381510
[(4Z)-cyclooct-4-en-1-yl]oxy-trimethylsilane
CID 18541566
2-cyclohept-4-en-1-ylethanol
CID 123466891

Frequently Asked Questions

What is the IUPAC name of (1S,4E,8S)-9,9-dibromobicyclo[6.1.0]non-4-ene?
The IUPAC name of (1S,4E,8S)-9,9-dibromobicyclo[6.1.0]non-4-ene (CID 98156795) is (1S,4E,8S)-9,9-dibromobicyclo[6.1.0]non-4-ene.
What is the SMILES notation for (1S,4E,8S)-9,9-dibromobicyclo[6.1.0]non-4-ene?
The canonical SMILES for (1S,4E,8S)-9,9-dibromobicyclo[6.1.0]non-4-ene is BrC1(Br)[C@H]2CC/C=C\CC[C@@H]21.
What is the InChIKey of (1S,4E,8S)-9,9-dibromobicyclo[6.1.0]non-4-ene?
The InChIKey is STKCBSOKXZTMOU-BNPBDYDZSA-N. The full InChI is InChI=1S/C9H12Br2/c10-9(11)7-5-3-1-2-4-6-8(7)9/h1-2,7-8H,3-6H2/b2-1-/t7-,8-/m0/s1.
What are the key properties of (1S,4E,8S)-9,9-dibromobicyclo[6.1.0]non-4-ene?
(1S,4E,8S)-9,9-dibromobicyclo[6.1.0]non-4-ene has a molecular weight of 280.00 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4E,8S)-9,9-dibromobicyclo[6.1.0]non-4-ene is sourced from PubChem (CID 98156795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).