(1R,2S,3S,5S,6S,8R,9R,10R)-1,7,7-tribromopentacyclo[6.3.0.02,6.03,10.05,9]undecane

C11H11Br3 — CID 124732167

IUPAC(1R,2S,3S,5S,6S,8R,9R,10R)-1,7,7-tribromopentacyclo[6.3.0.02,6.03,10.05,9]undecane
SMILESBrC1(Br)[C@H]2[C@H]3C[C@H]4[C@H]5C[C@@](Br)([C@@H]42)[C@H]1[C@H]53
InChIInChI=1S/C11H11Br3/c12-10-2-5-3-1-4-6(5)9(10)11(13,14)8(4)7(3)10/h3-9H,1-2H2/t3-,4-,5+,6-,7-,8-,9+,10+/m0/s1
InChIKeyJJUJHPPUQWQEPP-ZBKHOBQRSA-N
MW382.92 g/mol
LogP3.77
Rot. Bonds

About (1R,2S,3S,5S,6S,8R,9R,10R)-1,7,7-tribromopentacyclo[6.3.0.02,6.03,10.05,9]undecane

(1R,2S,3S,5S,6S,8R,9R,10R)-1,7,7-tribromopentacyclo[6.3.0.02,6.03,10.05,9]undecane (PubChem CID 124732167) has the molecular formula C11H11Br3 and a molecular weight of 382.92 g/mol. Its IUPAC name is (1R,2S,3S,5S,6S,8R,9R,10R)-1,7,7-tribromopentacyclo[6.3.0.02,6.03,10.05,9]undecane.

Molecular Properties

Compound Name(1R,2S,3S,5S,6S,8R,9R,10R)-1,7,7-tribromopentacyclo[6.3.0.02,6.03,10.05,9]undecane
PubChem CID124732167
Molecular FormulaC11H11Br3
Molecular Weight382.92 g/mol
Exact Mass379.84
IUPAC Name(1R,2S,3S,5S,6S,8R,9R,10R)-1,7,7-tribromopentacyclo[6.3.0.02,6.03,10.05,9]undecane
SMILESBrC1(Br)[C@H]2[C@H]3C[C@H]4[C@H]5C[C@@](Br)([C@@H]42)[C@H]1[C@H]53
InChIInChI=1S/C11H11Br3/c12-10-2-5-3-1-4-6(5)9(10)11(13,14)8(4)7(3)10/h3-9H,1-2H2/t3-,4-,5+,6-,7-,8-,9+,10+/m0/s1
InChIKeyJJUJHPPUQWQEPP-ZBKHOBQRSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.92
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,5S,6S,8R,9R,10R)-1,7,7-tribromopentacyclo[6.3.0.02,6.03,10.05,9]undecane?
The IUPAC name of (1R,2S,3S,5S,6S,8R,9R,10R)-1,7,7-tribromopentacyclo[6.3.0.02,6.03,10.05,9]undecane (CID 124732167) is (1R,2S,3S,5S,6S,8R,9R,10R)-1,7,7-tribromopentacyclo[6.3.0.02,6.03,10.05,9]undecane.
What is the SMILES notation for (1R,2S,3S,5S,6S,8R,9R,10R)-1,7,7-tribromopentacyclo[6.3.0.02,6.03,10.05,9]undecane?
The canonical SMILES for (1R,2S,3S,5S,6S,8R,9R,10R)-1,7,7-tribromopentacyclo[6.3.0.02,6.03,10.05,9]undecane is BrC1(Br)[C@H]2[C@H]3C[C@H]4[C@H]5C[C@@](Br)([C@@H]42)[C@H]1[C@H]53.
What is the InChIKey of (1R,2S,3S,5S,6S,8R,9R,10R)-1,7,7-tribromopentacyclo[6.3.0.02,6.03,10.05,9]undecane?
The InChIKey is JJUJHPPUQWQEPP-ZBKHOBQRSA-N. The full InChI is InChI=1S/C11H11Br3/c12-10-2-5-3-1-4-6(5)9(10)11(13,14)8(4)7(3)10/h3-9H,1-2H2/t3-,4-,5+,6-,7-,8-,9+,10+/m0/s1.
What are the key properties of (1R,2S,3S,5S,6S,8R,9R,10R)-1,7,7-tribromopentacyclo[6.3.0.02,6.03,10.05,9]undecane?
(1R,2S,3S,5S,6S,8R,9R,10R)-1,7,7-tribromopentacyclo[6.3.0.02,6.03,10.05,9]undecane has a molecular weight of 382.92 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,5S,6S,8R,9R,10R)-1,7,7-tribromopentacyclo[6.3.0.02,6.03,10.05,9]undecane is sourced from PubChem (CID 124732167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).