1,6-dichloro-3-methylidenecyclohexa-1,4-diene

C7H6Cl2 — CID 135469084

IUPAC1,6-dichloro-3-methylidenecyclohexa-1,4-diene
SMILESC=C1C=CC(Cl)C(Cl)=C1
InChIInChI=1S/C7H6Cl2/c1-5-2-3-6(8)7(9)4-5/h2-4,6H,1H2
InChIKeyBGCICQIKZZQWIX-UHFFFAOYSA-N
MW161.03 g/mol
LogP2.84
Rot. Bonds

About 1,6-dichloro-3-methylidenecyclohexa-1,4-diene

1,6-dichloro-3-methylidenecyclohexa-1,4-diene (PubChem CID 135469084) has the molecular formula C7H6Cl2 and a molecular weight of 161.03 g/mol. Its IUPAC name is 1,6-dichloro-3-methylidenecyclohexa-1,4-diene.

Molecular Properties

Compound Name1,6-dichloro-3-methylidenecyclohexa-1,4-diene
PubChem CID135469084
Molecular FormulaC7H6Cl2
Molecular Weight161.03 g/mol
Exact Mass159.98
IUPAC Name1,6-dichloro-3-methylidenecyclohexa-1,4-diene
SMILESC=C1C=CC(Cl)C(Cl)=C1
InChIInChI=1S/C7H6Cl2/c1-5-2-3-6(8)7(9)4-5/h2-4,6H,1H2
InChIKeyBGCICQIKZZQWIX-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,4,7-trichloro-3-methylcyclohepta-1,3,5-triene
CID 142944405
1,6-dichlorocyclohexa-1,4-diene
CID 54281076
(4Z,7Z,10Z,13Z)-3,6,9,12,15-pentamethylidenecyclopentadeca-1,4,7,10,13-pentaene
CID 90931509
1,4-dichloro-1H-indene
CID 139796127
3-methylidene-1,6-di(propan-2-yl)cyclohexa-1,4-diene
CID 59811849
1,5-dichloro-3-methylidenecyclohexa-1,4-diene
CID 135897186
2,6-dichlorocyclohex-4-ene-1,3-dione
CID 67689500
methane;2-methyl-5-methylidenecyclopenta-1,3-diene
CID 142180985
1-chloro-1H-indene;titanium;dihydrochloride
CID 174637282
5-methylidene-2-methyliodanuidylcyclopenta-1,3-diene
CID 163460635
2-(4,5-dichlorocyclohepta-1,3,6-trien-1-yl)-4-ethanimidoylthiophen-3-ol
CID 143396088
potassium;2-(4,5-dichlorocyclohepta-1,3,6-trien-1-yl)-4-ethanimidoylthiophen-3-olate;ethane
CID 143396087

Frequently Asked Questions

What is the IUPAC name of 1,6-dichloro-3-methylidenecyclohexa-1,4-diene?
The IUPAC name of 1,6-dichloro-3-methylidenecyclohexa-1,4-diene (CID 135469084) is 1,6-dichloro-3-methylidenecyclohexa-1,4-diene.
What is the SMILES notation for 1,6-dichloro-3-methylidenecyclohexa-1,4-diene?
The canonical SMILES for 1,6-dichloro-3-methylidenecyclohexa-1,4-diene is C=C1C=CC(Cl)C(Cl)=C1.
What is the InChIKey of 1,6-dichloro-3-methylidenecyclohexa-1,4-diene?
The InChIKey is BGCICQIKZZQWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2/c1-5-2-3-6(8)7(9)4-5/h2-4,6H,1H2.
What are the key properties of 1,6-dichloro-3-methylidenecyclohexa-1,4-diene?
1,6-dichloro-3-methylidenecyclohexa-1,4-diene has a molecular weight of 161.03 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dichloro-3-methylidenecyclohexa-1,4-diene is sourced from PubChem (CID 135469084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).