1,5-dichloro-3-methylidenecyclohexa-1,4-diene

C7H6Cl2 — CID 135897186

IUPAC1,5-dichloro-3-methylidenecyclohexa-1,4-diene
SMILESC=C1C=C(Cl)CC(Cl)=C1
InChIInChI=1S/C7H6Cl2/c1-5-2-6(8)4-7(9)3-5/h2-3H,1,4H2
InChIKeyLEPDNLWFKALLJK-UHFFFAOYSA-N
MW161.03 g/mol
LogP3.19
Rot. Bonds

About 1,5-dichloro-3-methylidenecyclohexa-1,4-diene

1,5-dichloro-3-methylidenecyclohexa-1,4-diene (PubChem CID 135897186) has the molecular formula C7H6Cl2 and a molecular weight of 161.03 g/mol. Its IUPAC name is 1,5-dichloro-3-methylidenecyclohexa-1,4-diene.

Molecular Properties

Compound Name1,5-dichloro-3-methylidenecyclohexa-1,4-diene
PubChem CID135897186
Molecular FormulaC7H6Cl2
Molecular Weight161.03 g/mol
Exact Mass159.98
IUPAC Name1,5-dichloro-3-methylidenecyclohexa-1,4-diene
SMILESC=C1C=C(Cl)CC(Cl)=C1
InChIInChI=1S/C7H6Cl2/c1-5-2-6(8)4-7(9)3-5/h2-3H,1,4H2
InChIKeyLEPDNLWFKALLJK-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.03
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,4-trichlorocyclopenta-1,3-diene
CID 122201414
1,2-dichlorocyclopropene
CID 20975380
1,6-dichloro-3-methylidenecyclohexa-1,4-diene
CID 135469084
1,2,4,5-tetramethylidenecyclohexane
CID 14908254
(4Z,7Z,10Z,13Z)-3,6,9,12,15-pentamethylidenecyclopentadeca-1,4,7,10,13-pentaene
CID 90931509
2,6-dibromo-4-methylidenecyclohexa-2,5-dien-1-imine
CID 135887811
4-chloro-2,3-dihydro-1H-pyrazole
CID 123277945
zinc;1,6-dichloro-3-methylidenecyclohexa-1,4-diene;bromide
CID 159107750
8,9-dimethylidenebicyclo[4.4.1]undeca-1(10),2,4,6-tetraene
CID 15528895
1-chloro-2-methyl-6-methylidenecyclohepta-1,3-diene
CID 123234884
3-chloro-1-methylbicyclo[4.1.0]hept-3-ene
CID 163431479
2,6-ditert-butyl-4-methylidenepyran
CID 12564554

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-3-methylidenecyclohexa-1,4-diene?
The IUPAC name of 1,5-dichloro-3-methylidenecyclohexa-1,4-diene (CID 135897186) is 1,5-dichloro-3-methylidenecyclohexa-1,4-diene.
What is the SMILES notation for 1,5-dichloro-3-methylidenecyclohexa-1,4-diene?
The canonical SMILES for 1,5-dichloro-3-methylidenecyclohexa-1,4-diene is C=C1C=C(Cl)CC(Cl)=C1.
What is the InChIKey of 1,5-dichloro-3-methylidenecyclohexa-1,4-diene?
The InChIKey is LEPDNLWFKALLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2/c1-5-2-6(8)4-7(9)3-5/h2-3H,1,4H2.
What are the key properties of 1,5-dichloro-3-methylidenecyclohexa-1,4-diene?
1,5-dichloro-3-methylidenecyclohexa-1,4-diene has a molecular weight of 161.03 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-3-methylidenecyclohexa-1,4-diene is sourced from PubChem (CID 135897186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).