(1R,2R,4S,5S)-1,5,6,7-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene

C8H6Cl4 — CID 23270984

IUPAC(1R,2R,4S,5S)-1,5,6,7-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene
SMILESClC1=C(Cl)[C@@]2(Cl)C[C@]1(Cl)[C@H]1C[C@H]12
InChIInChI=1S/C8H6Cl4/c9-5-6(10)8(12)2-7(5,11)3-1-4(3)8/h3-4H,1-2H2/t3-,4+,7-,8+
InChIKeyBYQYJCWMQRMFJS-DDYGQXQVSA-N
MW243.95 g/mol
LogP3.68
Rot. Bonds

About (1R,2R,4S,5S)-1,5,6,7-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene

(1R,2R,4S,5S)-1,5,6,7-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene (PubChem CID 23270984) has the molecular formula C8H6Cl4 and a molecular weight of 243.95 g/mol. Its IUPAC name is (1R,2R,4S,5S)-1,5,6,7-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene.

Molecular Properties

Compound Name(1R,2R,4S,5S)-1,5,6,7-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene
PubChem CID23270984
Molecular FormulaC8H6Cl4
Molecular Weight243.95 g/mol
Exact Mass241.92
IUPAC Name(1R,2R,4S,5S)-1,5,6,7-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene
SMILESClC1=C(Cl)[C@@]2(Cl)C[C@]1(Cl)[C@H]1C[C@H]12
InChIInChI=1S/C8H6Cl4/c9-5-6(10)8(12)2-7(5,11)3-1-4(3)8/h3-4H,1-2H2/t3-,4+,7-,8+
InChIKeyBYQYJCWMQRMFJS-DDYGQXQVSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.95
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1R,2R,4S,5S)-1,5,6,7-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene with MolForge

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Related Compounds

(1S,2S,4R,5R)-1,5,6-trichlorotricyclo[3.2.1.02,4]oct-6-ene
CID 23270982
(1S,2S,4S,5S)-1,6,7-trichlorotricyclo[3.2.1.02,4]oct-6-ene
CID 23270983
(1S,2S,4R,5S)-1,5,6,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene
CID 23270985
(1R,2S,4R,5R)-1,6,7,8-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene
CID 23270986
(1R,2S,4R,5S)-1,5,6,7,8-pentachlorotricyclo[3.2.1.02,4]oct-6-ene
CID 23270991
(1S,2S,4R,5R)-1,5,6,7,8,8-hexachlorotricyclo[3.2.1.02,4]oct-6-ene
CID 23270998

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,5S)-1,5,6,7-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene?
The IUPAC name of (1R,2R,4S,5S)-1,5,6,7-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene (CID 23270984) is (1R,2R,4S,5S)-1,5,6,7-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene.
What is the SMILES notation for (1R,2R,4S,5S)-1,5,6,7-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene?
The canonical SMILES for (1R,2R,4S,5S)-1,5,6,7-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene is ClC1=C(Cl)[C@@]2(Cl)C[C@]1(Cl)[C@H]1C[C@H]12.
What is the InChIKey of (1R,2R,4S,5S)-1,5,6,7-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene?
The InChIKey is BYQYJCWMQRMFJS-DDYGQXQVSA-N. The full InChI is InChI=1S/C8H6Cl4/c9-5-6(10)8(12)2-7(5,11)3-1-4(3)8/h3-4H,1-2H2/t3-,4+,7-,8+.
What are the key properties of (1R,2R,4S,5S)-1,5,6,7-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene?
(1R,2R,4S,5S)-1,5,6,7-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene has a molecular weight of 243.95 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,5S)-1,5,6,7-tetrachlorotricyclo[3.2.1.02,4]oct-6-ene is sourced from PubChem (CID 23270984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).