6-chloro-1,5-dimethylcyclohexa-1,3-diene

C8H11Cl — CID 14111424

IUPAC6-chloro-1,5-dimethylcyclohexa-1,3-diene
SMILESCC1=CC=CC(C)C1Cl
InChIInChI=1S/C8H11Cl/c1-6-4-3-5-7(2)8(6)9/h3-6,8H,1-2H3
InChIKeyXMVGPLVLBAPWED-UHFFFAOYSA-N
MW142.63 g/mol
LogP2.75
Rot. Bonds

About 6-chloro-1,5-dimethylcyclohexa-1,3-diene

6-chloro-1,5-dimethylcyclohexa-1,3-diene (PubChem CID 14111424) has the molecular formula C8H11Cl and a molecular weight of 142.63 g/mol. Its IUPAC name is 6-chloro-1,5-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-chloro-1,5-dimethylcyclohexa-1,3-diene
PubChem CID14111424
Molecular FormulaC8H11Cl
Molecular Weight142.63 g/mol
Exact Mass142.05
IUPAC Name6-chloro-1,5-dimethylcyclohexa-1,3-diene
SMILESCC1=CC=CC(C)C1Cl
InChIInChI=1S/C8H11Cl/c1-6-4-3-5-7(2)8(6)9/h3-6,8H,1-2H3
InChIKeyXMVGPLVLBAPWED-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.63
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,5-dimethylcyclohexa-1,3-diene?
The IUPAC name of 6-chloro-1,5-dimethylcyclohexa-1,3-diene (CID 14111424) is 6-chloro-1,5-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 6-chloro-1,5-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 6-chloro-1,5-dimethylcyclohexa-1,3-diene is CC1=CC=CC(C)C1Cl.
What is the InChIKey of 6-chloro-1,5-dimethylcyclohexa-1,3-diene?
The InChIKey is XMVGPLVLBAPWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl/c1-6-4-3-5-7(2)8(6)9/h3-6,8H,1-2H3.
What are the key properties of 6-chloro-1,5-dimethylcyclohexa-1,3-diene?
6-chloro-1,5-dimethylcyclohexa-1,3-diene has a molecular weight of 142.63 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,5-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 14111424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).