1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene

C10H5Cl7 — CID 3589

IUPAC1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene
SMILESClC1=C(Cl)C2(Cl)C3C(Cl)C=CC3C1(Cl)C2(Cl)Cl
InChIInChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H
InChIKeyFRCCEHPWNOQAEU-UHFFFAOYSA-N
MW373.32 g/mol
LogP5.24
Rot. Bonds

About 1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene

1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 3589) has the molecular formula C10H5Cl7 and a molecular weight of 373.32 g/mol. Its IUPAC name is 1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

Compound Name1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene
PubChem CID3589
Molecular FormulaC10H5Cl7
Molecular Weight373.32 g/mol
Exact Mass369.82
IUPAC Name1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene
SMILESClC1=C(Cl)C2(Cl)C3C(Cl)C=CC3C1(Cl)C2(Cl)Cl
InChIInChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H
InChIKeyFRCCEHPWNOQAEU-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.32
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Aldrin
CID 12310947
Chlordane
CID 11954021
Chlordane, technical
CID 5993
cis-Chlordane
CID 12303035
trans-Chlordane
CID 12303036
Nonachlor
CID 19520
Alpha-chlordane
CID 12303038
Isodrin
CID 12310946
Chlordene
CID 19519
Npc328442
CID 12313421
(1R,2S,3R,4R,6S,7S)-1,3,4,7,8,9,10,10-Octachlorotricyclo[5.2.1.02,6]dec-8-ene
CID 45356234
(+)cis-Chlordane
CID 1550472

Frequently Asked Questions

What is the IUPAC name of 1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene?
The IUPAC name of 1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene (CID 3589) is 1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene.
What is the SMILES notation for 1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene?
The canonical SMILES for 1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene is ClC1=C(Cl)C2(Cl)C3C(Cl)C=CC3C1(Cl)C2(Cl)Cl.
What is the InChIKey of 1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene?
The InChIKey is FRCCEHPWNOQAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H.
What are the key properties of 1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene?
1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene has a molecular weight of 373.32 g/mol, XLogP of 5.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 3589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).