2-chloro-1,3-dimethylcyclohexa-1,3-diene

C8H11Cl — CID 14111430

IUPAC2-chloro-1,3-dimethylcyclohexa-1,3-diene
SMILESCC1=CCCC(C)=C1Cl
InChIInChI=1S/C8H11Cl/c1-6-4-3-5-7(2)8(6)9/h4H,3,5H2,1-2H3
InChIKeyOYZSMCBRSDFQSO-UHFFFAOYSA-N
MW142.63 g/mol
LogP3.24
Rot. Bonds

About 2-chloro-1,3-dimethylcyclohexa-1,3-diene

2-chloro-1,3-dimethylcyclohexa-1,3-diene (PubChem CID 14111430) has the molecular formula C8H11Cl and a molecular weight of 142.63 g/mol. Its IUPAC name is 2-chloro-1,3-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-chloro-1,3-dimethylcyclohexa-1,3-diene
PubChem CID14111430
Molecular FormulaC8H11Cl
Molecular Weight142.63 g/mol
Exact Mass142.05
IUPAC Name2-chloro-1,3-dimethylcyclohexa-1,3-diene
SMILESCC1=CCCC(C)=C1Cl
InChIInChI=1S/C8H11Cl/c1-6-4-3-5-7(2)8(6)9/h4H,3,5H2,1-2H3
InChIKeyOYZSMCBRSDFQSO-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-dimethylcyclohexa-1,3-diene?
The IUPAC name of 2-chloro-1,3-dimethylcyclohexa-1,3-diene (CID 14111430) is 2-chloro-1,3-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 2-chloro-1,3-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 2-chloro-1,3-dimethylcyclohexa-1,3-diene is CC1=CCCC(C)=C1Cl.
What is the InChIKey of 2-chloro-1,3-dimethylcyclohexa-1,3-diene?
The InChIKey is OYZSMCBRSDFQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl/c1-6-4-3-5-7(2)8(6)9/h4H,3,5H2,1-2H3.
What are the key properties of 2-chloro-1,3-dimethylcyclohexa-1,3-diene?
2-chloro-1,3-dimethylcyclohexa-1,3-diene has a molecular weight of 142.63 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 14111430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).