5-(chloromethylidene)-2-ethenylcyclohexa-1,3-diene

C9H9Cl — CID 67127404

IUPAC5-(chloromethylidene)-2-ethenylcyclohexa-1,3-diene
SMILESC=CC1=CCC(=CCl)C=C1
InChIInChI=1S/C9H9Cl/c1-2-8-3-5-9(7-10)6-4-8/h2-5,7H,1,6H2
InChIKeyGSQHWWWVYRJHHA-UHFFFAOYSA-N
MW152.62 g/mol
LogP3.18
Rot. Bonds1

About 5-(chloromethylidene)-2-ethenylcyclohexa-1,3-diene

5-(chloromethylidene)-2-ethenylcyclohexa-1,3-diene (PubChem CID 67127404) has the molecular formula C9H9Cl and a molecular weight of 152.62 g/mol. Its IUPAC name is 5-(chloromethylidene)-2-ethenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(chloromethylidene)-2-ethenylcyclohexa-1,3-diene
PubChem CID67127404
Molecular FormulaC9H9Cl
Molecular Weight152.62 g/mol
Exact Mass152.04
IUPAC Name5-(chloromethylidene)-2-ethenylcyclohexa-1,3-diene
SMILESC=CC1=CCC(=CCl)C=C1
InChIInChI=1S/C9H9Cl/c1-2-8-3-5-9(7-10)6-4-8/h2-5,7H,1,6H2
InChIKeyGSQHWWWVYRJHHA-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.62
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethylidene)-2-ethenylcyclohexa-1,3-diene?
The IUPAC name of 5-(chloromethylidene)-2-ethenylcyclohexa-1,3-diene (CID 67127404) is 5-(chloromethylidene)-2-ethenylcyclohexa-1,3-diene.
What is the SMILES notation for 5-(chloromethylidene)-2-ethenylcyclohexa-1,3-diene?
The canonical SMILES for 5-(chloromethylidene)-2-ethenylcyclohexa-1,3-diene is C=CC1=CCC(=CCl)C=C1.
What is the InChIKey of 5-(chloromethylidene)-2-ethenylcyclohexa-1,3-diene?
The InChIKey is GSQHWWWVYRJHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl/c1-2-8-3-5-9(7-10)6-4-8/h2-5,7H,1,6H2.
What are the key properties of 5-(chloromethylidene)-2-ethenylcyclohexa-1,3-diene?
5-(chloromethylidene)-2-ethenylcyclohexa-1,3-diene has a molecular weight of 152.62 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethylidene)-2-ethenylcyclohexa-1,3-diene is sourced from PubChem (CID 67127404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).