1-chloro-6-methylidenecyclohexa-1,4-diene

C7H5Cl — CID 57448626

IUPAC1-chloro-6-methylidenecyclohexa-1,4-diene
SMILES[H]/[C+]=C1\C=C[CH-]C=C1Cl
InChIInChI=1S/C7H5Cl/c1-6-4-2-3-5-7(6)8/h1-5H
InChIKeyQUFIMTWZDPISGZ-UHFFFAOYSA-N
MW124.57 g/mol
LogP2.24
Rot. Bonds

About 1-chloro-6-methylidenecyclohexa-1,4-diene

1-chloro-6-methylidenecyclohexa-1,4-diene (PubChem CID 57448626) has the molecular formula C7H5Cl and a molecular weight of 124.57 g/mol. Its IUPAC name is 1-chloro-6-methylidenecyclohexa-1,4-diene.

Molecular Properties

Compound Name1-chloro-6-methylidenecyclohexa-1,4-diene
PubChem CID57448626
Molecular FormulaC7H5Cl
Molecular Weight124.57 g/mol
Exact Mass124.01
IUPAC Name1-chloro-6-methylidenecyclohexa-1,4-diene
SMILES[H]/[C+]=C1\C=C[CH-]C=C1Cl
InChIInChI=1S/C7H5Cl/c1-6-4-2-3-5-7(6)8/h1-5H
InChIKeyQUFIMTWZDPISGZ-UHFFFAOYSA-N
XLogP2.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.57
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-methylidenecyclohexa-1,4-diene?
The IUPAC name of 1-chloro-6-methylidenecyclohexa-1,4-diene (CID 57448626) is 1-chloro-6-methylidenecyclohexa-1,4-diene.
What is the SMILES notation for 1-chloro-6-methylidenecyclohexa-1,4-diene?
The canonical SMILES for 1-chloro-6-methylidenecyclohexa-1,4-diene is [H]/[C+]=C1\C=C[CH-]C=C1Cl.
What is the InChIKey of 1-chloro-6-methylidenecyclohexa-1,4-diene?
The InChIKey is QUFIMTWZDPISGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl/c1-6-4-2-3-5-7(6)8/h1-5H.
What are the key properties of 1-chloro-6-methylidenecyclohexa-1,4-diene?
1-chloro-6-methylidenecyclohexa-1,4-diene has a molecular weight of 124.57 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-methylidenecyclohexa-1,4-diene is sourced from PubChem (CID 57448626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).