5-(1,2-dichloroethenyl)tricyclo[5.2.1.02,6]deca-3,8-diene

C12H12Cl2 — CID 54168824

IUPAC5-(1,2-dichloroethenyl)tricyclo[5.2.1.02,6]deca-3,8-diene
SMILESClC=C(Cl)C1C=CC2C3C=CC(C3)C12
InChIInChI=1S/C12H12Cl2/c13-6-11(14)10-4-3-9-7-1-2-8(5-7)12(9)10/h1-4,6-10,12H,5H2
InChIKeyOTOOSVNPHWOGIO-UHFFFAOYSA-N
MW227.13 g/mol
LogP3.93
Rot. Bonds1

About 5-(1,2-dichloroethenyl)tricyclo[5.2.1.02,6]deca-3,8-diene

5-(1,2-dichloroethenyl)tricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 54168824) has the molecular formula C12H12Cl2 and a molecular weight of 227.13 g/mol. Its IUPAC name is 5-(1,2-dichloroethenyl)tricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

Compound Name5-(1,2-dichloroethenyl)tricyclo[5.2.1.02,6]deca-3,8-diene
PubChem CID54168824
Molecular FormulaC12H12Cl2
Molecular Weight227.13 g/mol
Exact Mass226.03
IUPAC Name5-(1,2-dichloroethenyl)tricyclo[5.2.1.02,6]deca-3,8-diene
SMILESClC=C(Cl)C1C=CC2C3C=CC(C3)C12
InChIInChI=1S/C12H12Cl2/c13-6-11(14)10-4-3-9-7-1-2-8(5-7)12(9)10/h1-4,6-10,12H,5H2
InChIKeyOTOOSVNPHWOGIO-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Heptachlor
CID 3589
CID 15502680
CID 15502680
Bicyclo[2.2.1]hept-2-ene, 5,6-bis(chloromethyl)-
CID 548684
5-(Chloromethyl)-2-norbornene
CID 253528
3-Chlorotricyclo[5.2.1.02,6]dec-8-ene
CID 20401217
cis-Heptachlordane
CID 85364152
(1R,2S,6R,7S)-4-(chloromethyl)tricyclo(5.2.1.0,2,6)dec-8-ene
CID 12950376
CID 169449902
CID 169449902
C10H10Cl2Pt
CID 175687706
Dicyclopentad-ienedichloropalladium
CID 13155452
Hepta-
CID 15559692
Dichloro(dicyclopentadienyl) platinum (II)
CID 51051618

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dichloroethenyl)tricyclo[5.2.1.02,6]deca-3,8-diene?
The IUPAC name of 5-(1,2-dichloroethenyl)tricyclo[5.2.1.02,6]deca-3,8-diene (CID 54168824) is 5-(1,2-dichloroethenyl)tricyclo[5.2.1.02,6]deca-3,8-diene.
What is the SMILES notation for 5-(1,2-dichloroethenyl)tricyclo[5.2.1.02,6]deca-3,8-diene?
The canonical SMILES for 5-(1,2-dichloroethenyl)tricyclo[5.2.1.02,6]deca-3,8-diene is ClC=C(Cl)C1C=CC2C3C=CC(C3)C12.
What is the InChIKey of 5-(1,2-dichloroethenyl)tricyclo[5.2.1.02,6]deca-3,8-diene?
The InChIKey is OTOOSVNPHWOGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2/c13-6-11(14)10-4-3-9-7-1-2-8(5-7)12(9)10/h1-4,6-10,12H,5H2.
What are the key properties of 5-(1,2-dichloroethenyl)tricyclo[5.2.1.02,6]deca-3,8-diene?
5-(1,2-dichloroethenyl)tricyclo[5.2.1.02,6]deca-3,8-diene has a molecular weight of 227.13 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dichloroethenyl)tricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 54168824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).