5,13-dichloro-1-methyltetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene

C17H14Cl2 — CID 625656

IUPAC5,13-dichloro-1-methyltetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene
SMILESCC12CC(Cc3cc(Cl)ccc31)c1ccc(Cl)cc12
InChIInChI=1S/C17H14Cl2/c1-17-9-11(14-4-2-13(19)8-16(14)17)6-10-7-12(18)3-5-15(10)17/h2-5,7-8,11H,6,9H2,1H3
InChIKeyZDHXUFXRIPRIRQ-UHFFFAOYSA-N
MW289.20 g/mol
LogP5.34
Rot. Bonds

About 5,13-dichloro-1-methyltetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene

5,13-dichloro-1-methyltetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene (PubChem CID 625656) has the molecular formula C17H14Cl2 and a molecular weight of 289.20 g/mol. Its IUPAC name is 5,13-dichloro-1-methyltetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene.

Molecular Properties

Compound Name5,13-dichloro-1-methyltetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene
PubChem CID625656
Molecular FormulaC17H14Cl2
Molecular Weight289.20 g/mol
Exact Mass288.05
IUPAC Name5,13-dichloro-1-methyltetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene
SMILESCC12CC(Cc3cc(Cl)ccc31)c1ccc(Cl)cc12
InChIInChI=1S/C17H14Cl2/c1-17-9-11(14-4-2-13(19)8-16(14)17)6-10-7-12(18)3-5-15(10)17/h2-5,7-8,11H,6,9H2,1H3
InChIKeyZDHXUFXRIPRIRQ-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.20
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,13-dichloro-1-methyltetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene?
The IUPAC name of 5,13-dichloro-1-methyltetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene (CID 625656) is 5,13-dichloro-1-methyltetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene.
What is the SMILES notation for 5,13-dichloro-1-methyltetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene?
The canonical SMILES for 5,13-dichloro-1-methyltetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene is CC12CC(Cc3cc(Cl)ccc31)c1ccc(Cl)cc12.
What is the InChIKey of 5,13-dichloro-1-methyltetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene?
The InChIKey is ZDHXUFXRIPRIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2/c1-17-9-11(14-4-2-13(19)8-16(14)17)6-10-7-12(18)3-5-15(10)17/h2-5,7-8,11H,6,9H2,1H3.
What are the key properties of 5,13-dichloro-1-methyltetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene?
5,13-dichloro-1-methyltetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene has a molecular weight of 289.20 g/mol, XLogP of 5.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,13-dichloro-1-methyltetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene is sourced from PubChem (CID 625656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).