(1R,2R,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-ene

C10H7Cl7 — CID 12767891

IUPAC(1R,2R,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-ene
SMILESClC1=C(Cl)[C@]2(Cl)[C@@H]3CC(Cl)C[C@@H]3[C@@]1(Cl)C2(Cl)Cl
InChIInChI=1S/C10H7Cl7/c11-3-1-4-5(2-3)9(15)7(13)6(12)8(4,14)10(9,16)17/h3-5H,1-2H2/t3?,4-,5+,8-,9+
InChIKeyCLTVIMPCWMHKFX-QTXMIJDDSA-N
MW375.34 g/mol
LogP5.47
Rot. Bonds

About (1R,2R,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-ene

(1R,2R,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 12767891) has the molecular formula C10H7Cl7 and a molecular weight of 375.34 g/mol. Its IUPAC name is (1R,2R,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name(1R,2R,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-ene
PubChem CID12767891
Molecular FormulaC10H7Cl7
Molecular Weight375.34 g/mol
Exact Mass371.84
IUPAC Name(1R,2R,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-ene
SMILESClC1=C(Cl)[C@]2(Cl)[C@@H]3CC(Cl)C[C@@H]3[C@@]1(Cl)C2(Cl)Cl
InChIInChI=1S/C10H7Cl7/c11-3-1-4-5(2-3)9(15)7(13)6(12)8(4,14)10(9,16)17/h3-5H,1-2H2/t3?,4-,5+,8-,9+
InChIKeyCLTVIMPCWMHKFX-QTXMIJDDSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.34
LogP ≤ 55.47
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,2R,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of (1R,2R,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-ene (CID 12767891) is (1R,2R,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for (1R,2R,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for (1R,2R,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-ene is ClC1=C(Cl)[C@]2(Cl)[C@@H]3CC(Cl)C[C@@H]3[C@@]1(Cl)C2(Cl)Cl.
What is the InChIKey of (1R,2R,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is CLTVIMPCWMHKFX-QTXMIJDDSA-N. The full InChI is InChI=1S/C10H7Cl7/c11-3-1-4-5(2-3)9(15)7(13)6(12)8(4,14)10(9,16)17/h3-5H,1-2H2/t3?,4-,5+,8-,9+.
What are the key properties of (1R,2R,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-ene?
(1R,2R,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 375.34 g/mol, XLogP of 5.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 12767891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).