6-(dichloromethylidene)-3,3-dimethylcyclohexa-1,4-diene

C9H10Cl2 — CID 11745398

IUPAC6-(dichloromethylidene)-3,3-dimethylcyclohexa-1,4-diene
SMILESCC1(C)C=CC(=C(Cl)Cl)C=C1
InChIInChI=1S/C9H10Cl2/c1-9(2)5-3-7(4-6-9)8(10)11/h3-6H,1-2H3
InChIKeyBOKNOGUIWWJFSK-UHFFFAOYSA-N
MW189.08 g/mol
LogP3.83
Rot. Bonds

About 6-(dichloromethylidene)-3,3-dimethylcyclohexa-1,4-diene

6-(dichloromethylidene)-3,3-dimethylcyclohexa-1,4-diene (PubChem CID 11745398) has the molecular formula C9H10Cl2 and a molecular weight of 189.08 g/mol. Its IUPAC name is 6-(dichloromethylidene)-3,3-dimethylcyclohexa-1,4-diene.

Molecular Properties

Compound Name6-(dichloromethylidene)-3,3-dimethylcyclohexa-1,4-diene
PubChem CID11745398
Molecular FormulaC9H10Cl2
Molecular Weight189.08 g/mol
Exact Mass188.02
IUPAC Name6-(dichloromethylidene)-3,3-dimethylcyclohexa-1,4-diene
SMILESCC1(C)C=CC(=C(Cl)Cl)C=C1
InChIInChI=1S/C9H10Cl2/c1-9(2)5-3-7(4-6-9)8(10)11/h3-6H,1-2H3
InChIKeyBOKNOGUIWWJFSK-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.08
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-(dichloromethylidene)-3,3-dimethylcyclohexa-1,4-diene?
The IUPAC name of 6-(dichloromethylidene)-3,3-dimethylcyclohexa-1,4-diene (CID 11745398) is 6-(dichloromethylidene)-3,3-dimethylcyclohexa-1,4-diene.
What is the SMILES notation for 6-(dichloromethylidene)-3,3-dimethylcyclohexa-1,4-diene?
The canonical SMILES for 6-(dichloromethylidene)-3,3-dimethylcyclohexa-1,4-diene is CC1(C)C=CC(=C(Cl)Cl)C=C1.
What is the InChIKey of 6-(dichloromethylidene)-3,3-dimethylcyclohexa-1,4-diene?
The InChIKey is BOKNOGUIWWJFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2/c1-9(2)5-3-7(4-6-9)8(10)11/h3-6H,1-2H3.
What are the key properties of 6-(dichloromethylidene)-3,3-dimethylcyclohexa-1,4-diene?
6-(dichloromethylidene)-3,3-dimethylcyclohexa-1,4-diene has a molecular weight of 189.08 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dichloromethylidene)-3,3-dimethylcyclohexa-1,4-diene is sourced from PubChem (CID 11745398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).