(5R,6R)-5,6-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene

C11H12Br2 — CID 10881240

IUPAC(5R,6R)-5,6-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESBr[C@@H]1CCCc2ccccc2[C@H]1Br
InChIInChI=1S/C11H12Br2/c12-10-7-3-5-8-4-1-2-6-9(8)11(10)13/h1-2,4,6,10-11H,3,5,7H2/t10-,11-/m1/s1
InChIKeyZSGXAIRPNLSBNS-GHMZBOCLSA-N
MW304.02 g/mol
LogP4.22
Rot. Bonds

About (5R,6R)-5,6-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene

(5R,6R)-5,6-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene (PubChem CID 10881240) has the molecular formula C11H12Br2 and a molecular weight of 304.02 g/mol. Its IUPAC name is (5R,6R)-5,6-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene.

Molecular Properties

Compound Name(5R,6R)-5,6-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene
PubChem CID10881240
Molecular FormulaC11H12Br2
Molecular Weight304.02 g/mol
Exact Mass301.93
IUPAC Name(5R,6R)-5,6-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESBr[C@@H]1CCCc2ccccc2[C@H]1Br
InChIInChI=1S/C11H12Br2/c12-10-7-3-5-8-4-1-2-6-9(8)11(10)13/h1-2,4,6,10-11H,3,5,7H2/t10-,11-/m1/s1
InChIKeyZSGXAIRPNLSBNS-GHMZBOCLSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.02
LogP ≤ 54.22
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

1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
CID 59863888
CID 59863888
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
5-bromo-6-(3-phenylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63472788
5-bromo-6-[(4-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63471259
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1,2,3,4-tetrahydronaphthalene-1-sulfinate
CID 68909659
1,2,3,4-tetrahydronaphthalene-1-sulfonyl bromide
CID 102537231
[(1R,2S)-2-bromo-1,2,3,4-tetrahydronaphthalen-1-yl]hydrazine
CID 124633942
ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 144973609
5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol
CID 121014206
5-bromo-6-[(3,4-dichlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63470691

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5,6-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The IUPAC name of (5R,6R)-5,6-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene (CID 10881240) is (5R,6R)-5,6-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene.
What is the SMILES notation for (5R,6R)-5,6-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The canonical SMILES for (5R,6R)-5,6-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene is Br[C@@H]1CCCc2ccccc2[C@H]1Br.
What is the InChIKey of (5R,6R)-5,6-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The InChIKey is ZSGXAIRPNLSBNS-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H12Br2/c12-10-7-3-5-8-4-1-2-6-9(8)11(10)13/h1-2,4,6,10-11H,3,5,7H2/t10-,11-/m1/s1.
What are the key properties of (5R,6R)-5,6-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
(5R,6R)-5,6-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene has a molecular weight of 304.02 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5,6-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene is sourced from PubChem (CID 10881240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).