1-chloro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene

C9H9Cl — CID 134888268

IUPAC1-chloro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene
SMILESC=c1cc(Cl)c(=C)cc1C
InChIInChI=1S/C9H9Cl/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,2-3H2,1H3
InChIKeyBLLJRSNSUDCVBS-UHFFFAOYSA-N
MW152.62 g/mol
LogP1.47
Rot. Bonds

About 1-chloro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene

1-chloro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene (PubChem CID 134888268) has the molecular formula C9H9Cl and a molecular weight of 152.62 g/mol. Its IUPAC name is 1-chloro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene.

Molecular Properties

Compound Name1-chloro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene
PubChem CID134888268
Molecular FormulaC9H9Cl
Molecular Weight152.62 g/mol
Exact Mass152.04
IUPAC Name1-chloro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene
SMILESC=c1cc(Cl)c(=C)cc1C
InChIInChI=1S/C9H9Cl/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,2-3H2,1H3
InChIKeyBLLJRSNSUDCVBS-UHFFFAOYSA-N
XLogP1.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.62
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene?
The IUPAC name of 1-chloro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene (CID 134888268) is 1-chloro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene.
What is the SMILES notation for 1-chloro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene?
The canonical SMILES for 1-chloro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene is C=c1cc(Cl)c(=C)cc1C.
What is the InChIKey of 1-chloro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene?
The InChIKey is BLLJRSNSUDCVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,2-3H2,1H3.
What are the key properties of 1-chloro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene?
1-chloro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene has a molecular weight of 152.62 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene is sourced from PubChem (CID 134888268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).