(1R,4R,6S,9S)-5,5,10,10-tetrabromotricyclo[7.1.0.04,6]decane

C10H12Br4 — CID 1220422

IUPAC(1R,4R,6S,9S)-5,5,10,10-tetrabromotricyclo[7.1.0.04,6]decane
SMILESBrC1(Br)[C@@H]2CC[C@@H]3[C@H](CC[C@@H]21)C3(Br)Br
InChIInChI=1S/C10H12Br4/c11-9(12)5-1-2-6-8(10(6,13)14)4-3-7(5)9/h5-8H,1-4H2/t5-,6-,7+,8+
InChIKeyCBZFVWOOXISXFJ-ODANAHCNSA-N
MW451.82 g/mol
LogP5.02
Rot. Bonds

About (1R,4R,6S,9S)-5,5,10,10-tetrabromotricyclo[7.1.0.04,6]decane

(1R,4R,6S,9S)-5,5,10,10-tetrabromotricyclo[7.1.0.04,6]decane (PubChem CID 1220422) has the molecular formula C10H12Br4 and a molecular weight of 451.82 g/mol. Its IUPAC name is (1R,4R,6S,9S)-5,5,10,10-tetrabromotricyclo[7.1.0.04,6]decane.

Molecular Properties

Compound Name(1R,4R,6S,9S)-5,5,10,10-tetrabromotricyclo[7.1.0.04,6]decane
PubChem CID1220422
Molecular FormulaC10H12Br4
Molecular Weight451.82 g/mol
Exact Mass447.77
IUPAC Name(1R,4R,6S,9S)-5,5,10,10-tetrabromotricyclo[7.1.0.04,6]decane
SMILESBrC1(Br)[C@@H]2CC[C@@H]3[C@H](CC[C@@H]21)C3(Br)Br
InChIInChI=1S/C10H12Br4/c11-9(12)5-1-2-6-8(10(6,13)14)4-3-7(5)9/h5-8H,1-4H2/t5-,6-,7+,8+
InChIKeyCBZFVWOOXISXFJ-ODANAHCNSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.82
LogP ≤ 55.02
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

11,11-dibromobicyclo[8.1.0]undecane
CID 12759798
10,10-dibromobicyclo[7.1.0]decane
CID 12759792
(1S,4E,8S)-9,9-dibromobicyclo[6.1.0]non-4-ene
CID 98156795
(1S,3R,6R)-7,7-dibromo-3-tert-butylbicyclo[4.1.0]heptane
CID 125033803
(1R,3R,6S)-7,7-dibromo-3-tert-butylbicyclo[4.1.0]heptane
CID 95564931
(1S,5S)-6,6-dibromo-3-azabicyclo[3.1.0]hexane
CID 125424367
CID 134889286
CID 134889286
7,7-dibromo-3-(3-fluoropropyl)-3-azabicyclo[4.1.0]heptane
CID 130708187
methyl (1S,6S)-7,7-dibromo-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 130758105
CID 134993535
CID 134993535
[(1S,8R)-4,5-dibromo-9-(hydroxymethyl)-9-bicyclo[6.1.0]nonanyl]methanol
CID 89428104
(3R,5S)-4,4,11,11-tetrabromotetracyclo[5.3.1.01,7.03,5]undecane
CID 117071048

Frequently Asked Questions

What is the IUPAC name of (1R,4R,6S,9S)-5,5,10,10-tetrabromotricyclo[7.1.0.04,6]decane?
The IUPAC name of (1R,4R,6S,9S)-5,5,10,10-tetrabromotricyclo[7.1.0.04,6]decane (CID 1220422) is (1R,4R,6S,9S)-5,5,10,10-tetrabromotricyclo[7.1.0.04,6]decane.
What is the SMILES notation for (1R,4R,6S,9S)-5,5,10,10-tetrabromotricyclo[7.1.0.04,6]decane?
The canonical SMILES for (1R,4R,6S,9S)-5,5,10,10-tetrabromotricyclo[7.1.0.04,6]decane is BrC1(Br)[C@@H]2CC[C@@H]3[C@H](CC[C@@H]21)C3(Br)Br.
What is the InChIKey of (1R,4R,6S,9S)-5,5,10,10-tetrabromotricyclo[7.1.0.04,6]decane?
The InChIKey is CBZFVWOOXISXFJ-ODANAHCNSA-N. The full InChI is InChI=1S/C10H12Br4/c11-9(12)5-1-2-6-8(10(6,13)14)4-3-7(5)9/h5-8H,1-4H2/t5-,6-,7+,8+.
What are the key properties of (1R,4R,6S,9S)-5,5,10,10-tetrabromotricyclo[7.1.0.04,6]decane?
(1R,4R,6S,9S)-5,5,10,10-tetrabromotricyclo[7.1.0.04,6]decane has a molecular weight of 451.82 g/mol, XLogP of 5.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,6S,9S)-5,5,10,10-tetrabromotricyclo[7.1.0.04,6]decane is sourced from PubChem (CID 1220422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).