(1S,7S)-8,8-dibromo-1,7-dimethylbicyclo[5.1.0]octa-2,4-diene

C10H12Br2 — CID 98624826

IUPAC(1S,7S)-8,8-dibromo-1,7-dimethylbicyclo[5.1.0]octa-2,4-diene
SMILESC[C@]12C=CC=CC[C@]1(C)C2(Br)Br
InChIInChI=1S/C10H12Br2/c1-8-6-4-3-5-7-9(8,2)10(8,11)12/h3-6H,7H2,1-2H3/t8-,9-/m0/s1
InChIKeyNSLOLPLTKBXMJZ-IUCAKERBSA-N
MW292.01 g/mol
LogP4.01
Rot. Bonds

About (1S,7S)-8,8-dibromo-1,7-dimethylbicyclo[5.1.0]octa-2,4-diene

(1S,7S)-8,8-dibromo-1,7-dimethylbicyclo[5.1.0]octa-2,4-diene (PubChem CID 98624826) has the molecular formula C10H12Br2 and a molecular weight of 292.01 g/mol. Its IUPAC name is (1S,7S)-8,8-dibromo-1,7-dimethylbicyclo[5.1.0]octa-2,4-diene.

Molecular Properties

Compound Name(1S,7S)-8,8-dibromo-1,7-dimethylbicyclo[5.1.0]octa-2,4-diene
PubChem CID98624826
Molecular FormulaC10H12Br2
Molecular Weight292.01 g/mol
Exact Mass289.93
IUPAC Name(1S,7S)-8,8-dibromo-1,7-dimethylbicyclo[5.1.0]octa-2,4-diene
SMILESC[C@]12C=CC=CC[C@]1(C)C2(Br)Br
InChIInChI=1S/C10H12Br2/c1-8-6-4-3-5-7-9(8,2)10(8,11)12/h3-6H,7H2,1-2H3/t8-,9-/m0/s1
InChIKeyNSLOLPLTKBXMJZ-IUCAKERBSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.01
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 163995556
CID 163995556
5-bromo-5-iodocyclohexa-1,3-diene;hydrate
CID 172757994
(1-methylcyclohexa-2,4-dien-1-yl)-oxidoazanium
CID 141138802
spiro[4.5]deca-1,3,7,9-tetraene
CID 59741992
(1-methylcyclohexa-2,4-dien-1-yl)aluminum(2+);phosphenous acid
CID 175786929
cyclopentene;5,5-dimethylcyclohexa-1,3-diene
CID 173137560
(1-methylcyclohexa-2,4-dien-1-yl)hydrazine
CID 66545334
(1-bromocyclohexa-2,4-dien-1-yl)hydrazine
CID 171662498
5,6-dibromo-5,6-dimethylcyclohexa-1,3-diene
CID 23052226
1,6,7,7-tetramethylbicyclo[4.1.0]hepta-2,4-diene
CID 123396645
1-chlorocyclohexa-2,4-diene-1-thiol
CID 155669989
cyclohexa-2,4-diene-1,1-diamine;methanamine
CID 174570033

Frequently Asked Questions

What is the IUPAC name of (1S,7S)-8,8-dibromo-1,7-dimethylbicyclo[5.1.0]octa-2,4-diene?
The IUPAC name of (1S,7S)-8,8-dibromo-1,7-dimethylbicyclo[5.1.0]octa-2,4-diene (CID 98624826) is (1S,7S)-8,8-dibromo-1,7-dimethylbicyclo[5.1.0]octa-2,4-diene.
What is the SMILES notation for (1S,7S)-8,8-dibromo-1,7-dimethylbicyclo[5.1.0]octa-2,4-diene?
The canonical SMILES for (1S,7S)-8,8-dibromo-1,7-dimethylbicyclo[5.1.0]octa-2,4-diene is C[C@]12C=CC=CC[C@]1(C)C2(Br)Br.
What is the InChIKey of (1S,7S)-8,8-dibromo-1,7-dimethylbicyclo[5.1.0]octa-2,4-diene?
The InChIKey is NSLOLPLTKBXMJZ-IUCAKERBSA-N. The full InChI is InChI=1S/C10H12Br2/c1-8-6-4-3-5-7-9(8,2)10(8,11)12/h3-6H,7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (1S,7S)-8,8-dibromo-1,7-dimethylbicyclo[5.1.0]octa-2,4-diene?
(1S,7S)-8,8-dibromo-1,7-dimethylbicyclo[5.1.0]octa-2,4-diene has a molecular weight of 292.01 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7S)-8,8-dibromo-1,7-dimethylbicyclo[5.1.0]octa-2,4-diene is sourced from PubChem (CID 98624826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).