9,16-dichlorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene

C16H14Cl2 — CID 54489742

IUPAC9,16-dichlorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene
SMILESClC1CC=CC2=C1C=C1C=CC=CC1C(Cl)C=C2
InChIInChI=1S/C16H14Cl2/c17-15-7-3-5-11-8-9-16(18)13-6-2-1-4-12(13)10-14(11)15/h1-6,8-10,13,15-16H,7H2
InChIKeyXUWGJKAFEUBHFV-UHFFFAOYSA-N
MW277.19 g/mol
LogP4.70
Rot. Bonds

About 9,16-dichlorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene

9,16-dichlorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene (PubChem CID 54489742) has the molecular formula C16H14Cl2 and a molecular weight of 277.19 g/mol. Its IUPAC name is 9,16-dichlorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene.

Molecular Properties

Compound Name9,16-dichlorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene
PubChem CID54489742
Molecular FormulaC16H14Cl2
Molecular Weight277.19 g/mol
Exact Mass276.05
IUPAC Name9,16-dichlorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene
SMILESClC1CC=CC2=C1C=C1C=CC=CC1C(Cl)C=C2
InChIInChI=1S/C16H14Cl2/c17-15-7-3-5-11-8-9-16(18)13-6-2-1-4-12(13)10-14(11)15/h1-6,8-10,13,15-16H,7H2
InChIKeyXUWGJKAFEUBHFV-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 54.70
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 9,16-dichlorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene?
The IUPAC name of 9,16-dichlorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene (CID 54489742) is 9,16-dichlorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene.
What is the SMILES notation for 9,16-dichlorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene?
The canonical SMILES for 9,16-dichlorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene is ClC1CC=CC2=C1C=C1C=CC=CC1C(Cl)C=C2.
What is the InChIKey of 9,16-dichlorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene?
The InChIKey is XUWGJKAFEUBHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2/c17-15-7-3-5-11-8-9-16(18)13-6-2-1-4-12(13)10-14(11)15/h1-6,8-10,13,15-16H,7H2.
What are the key properties of 9,16-dichlorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene?
9,16-dichlorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene has a molecular weight of 277.19 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,16-dichlorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene is sourced from PubChem (CID 54489742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).