3,5-dichlorotricyclo[5.2.1.04,8]dec-2-ene

C10H12Cl2 — CID 597443

IUPAC3,5-dichlorotricyclo[5.2.1.04,8]dec-2-ene
SMILESClC1=CC2CC3CC(Cl)C1C3C2
InChIInChI=1S/C10H12Cl2/c11-8-3-5-1-6-4-9(12)10(8)7(6)2-5/h3,5-7,9-10H,1-2,4H2
InChIKeyYEVBMZZACQRDHM-UHFFFAOYSA-N
MW203.11 g/mol
LogP3.39
Rot. Bonds

About 3,5-dichlorotricyclo[5.2.1.04,8]dec-2-ene

3,5-dichlorotricyclo[5.2.1.04,8]dec-2-ene (PubChem CID 597443) has the molecular formula C10H12Cl2 and a molecular weight of 203.11 g/mol. Its IUPAC name is 3,5-dichlorotricyclo[5.2.1.04,8]dec-2-ene.

Molecular Properties

Compound Name3,5-dichlorotricyclo[5.2.1.04,8]dec-2-ene
PubChem CID597443
Molecular FormulaC10H12Cl2
Molecular Weight203.11 g/mol
Exact Mass202.03
IUPAC Name3,5-dichlorotricyclo[5.2.1.04,8]dec-2-ene
SMILESClC1=CC2CC3CC(Cl)C1C3C2
InChIInChI=1S/C10H12Cl2/c11-8-3-5-1-6-4-9(12)10(8)7(6)2-5/h3,5-7,9-10H,1-2,4H2
InChIKeyYEVBMZZACQRDHM-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.11
LogP ≤ 53.39
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 3,5-dichlorotricyclo[5.2.1.04,8]dec-2-ene?
The IUPAC name of 3,5-dichlorotricyclo[5.2.1.04,8]dec-2-ene (CID 597443) is 3,5-dichlorotricyclo[5.2.1.04,8]dec-2-ene.
What is the SMILES notation for 3,5-dichlorotricyclo[5.2.1.04,8]dec-2-ene?
The canonical SMILES for 3,5-dichlorotricyclo[5.2.1.04,8]dec-2-ene is ClC1=CC2CC3CC(Cl)C1C3C2.
What is the InChIKey of 3,5-dichlorotricyclo[5.2.1.04,8]dec-2-ene?
The InChIKey is YEVBMZZACQRDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2/c11-8-3-5-1-6-4-9(12)10(8)7(6)2-5/h3,5-7,9-10H,1-2,4H2.
What are the key properties of 3,5-dichlorotricyclo[5.2.1.04,8]dec-2-ene?
3,5-dichlorotricyclo[5.2.1.04,8]dec-2-ene has a molecular weight of 203.11 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichlorotricyclo[5.2.1.04,8]dec-2-ene is sourced from PubChem (CID 597443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).