1,3-dichlorocyclohexa-1,3-diene

C6H6Cl2 — CID 21289273

IUPAC1,3-dichlorocyclohexa-1,3-diene
SMILESClC1=CCCC(Cl)=C1
InChIInChI=1S/C6H6Cl2/c7-5-2-1-3-6(8)4-5/h2,4H,1,3H2
InChIKeyIJZQIAHVHZPWDX-UHFFFAOYSA-N
MW149.02 g/mol
LogP3.03
Rot. Bonds

About 1,3-dichlorocyclohexa-1,3-diene

1,3-dichlorocyclohexa-1,3-diene (PubChem CID 21289273) has the molecular formula C6H6Cl2 and a molecular weight of 149.02 g/mol. Its IUPAC name is 1,3-dichlorocyclohexa-1,3-diene.

Molecular Properties

Compound Name1,3-dichlorocyclohexa-1,3-diene
PubChem CID21289273
Molecular FormulaC6H6Cl2
Molecular Weight149.02 g/mol
Exact Mass147.98
IUPAC Name1,3-dichlorocyclohexa-1,3-diene
SMILESClC1=CCCC(Cl)=C1
InChIInChI=1S/C6H6Cl2/c7-5-2-1-3-6(8)4-5/h2,4H,1,3H2
InChIKeyIJZQIAHVHZPWDX-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.02
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-Dichloro-cyclohexa-1,4-diene
CID 12556286
Dichlorocyclohexadiene
CID 12809304
2-Chlorocyclohexa-1,3-diene
CID 12856519
Trichlorocyclohexadiene
CID 21482673
1,4-Cyclohexadiene, 1,5-dichloro-
CID 45090464
1,5-Dichloro-3-fluorocyclohexa-1,3-diene
CID 19695661
1-Chloro-2-fluorocyclohexa-1,3-diene
CID 20321633
1,5-Dichloro-5-fluorocyclohexa-1,3-diene
CID 21655639
1-Chloro-5-fluorocyclohexa-1,3-diene
CID 22618260
1-Chloro-4-fluorocyclohexa-1,3-diene
CID 23089703
1-Chloro-6-fluorocyclohexa-1,3-diene
CID 69498342
2,4-Dichloro-1-fluorocyclohexa-1,3-diene
CID 70326512

Frequently Asked Questions

What is the IUPAC name of 1,3-dichlorocyclohexa-1,3-diene?
The IUPAC name of 1,3-dichlorocyclohexa-1,3-diene (CID 21289273) is 1,3-dichlorocyclohexa-1,3-diene.
What is the SMILES notation for 1,3-dichlorocyclohexa-1,3-diene?
The canonical SMILES for 1,3-dichlorocyclohexa-1,3-diene is ClC1=CCCC(Cl)=C1.
What is the InChIKey of 1,3-dichlorocyclohexa-1,3-diene?
The InChIKey is IJZQIAHVHZPWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2/c7-5-2-1-3-6(8)4-5/h2,4H,1,3H2.
What are the key properties of 1,3-dichlorocyclohexa-1,3-diene?
1,3-dichlorocyclohexa-1,3-diene has a molecular weight of 149.02 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichlorocyclohexa-1,3-diene is sourced from PubChem (CID 21289273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).