2-chlorospiro[2.4]hepta-4,6-diene

C7H7Cl — CID 13398021

IUPAC2-chlorospiro[2.4]hepta-4,6-diene
SMILESClC1CC12C=CC=C2
InChIInChI=1S/C7H7Cl/c8-6-5-7(6)3-1-2-4-7/h1-4,6H,5H2
InChIKeyFNLFKIJDAAMQNA-UHFFFAOYSA-N
MW126.59 g/mol
LogP2.11
Rot. Bonds

About 2-chlorospiro[2.4]hepta-4,6-diene

2-chlorospiro[2.4]hepta-4,6-diene (PubChem CID 13398021) has the molecular formula C7H7Cl and a molecular weight of 126.59 g/mol. Its IUPAC name is 2-chlorospiro[2.4]hepta-4,6-diene.

Molecular Properties

Compound Name2-chlorospiro[2.4]hepta-4,6-diene
PubChem CID13398021
Molecular FormulaC7H7Cl
Molecular Weight126.59 g/mol
Exact Mass126.02
IUPAC Name2-chlorospiro[2.4]hepta-4,6-diene
SMILESClC1CC12C=CC=C2
InChIInChI=1S/C7H7Cl/c8-6-5-7(6)3-1-2-4-7/h1-4,6H,5H2
InChIKeyFNLFKIJDAAMQNA-UHFFFAOYSA-N
XLogP2.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.59
LogP ≤ 52.11
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 2-chlorospiro[2.4]hepta-4,6-diene?
The IUPAC name of 2-chlorospiro[2.4]hepta-4,6-diene (CID 13398021) is 2-chlorospiro[2.4]hepta-4,6-diene.
What is the SMILES notation for 2-chlorospiro[2.4]hepta-4,6-diene?
The canonical SMILES for 2-chlorospiro[2.4]hepta-4,6-diene is ClC1CC12C=CC=C2.
What is the InChIKey of 2-chlorospiro[2.4]hepta-4,6-diene?
The InChIKey is FNLFKIJDAAMQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl/c8-6-5-7(6)3-1-2-4-7/h1-4,6H,5H2.
What are the key properties of 2-chlorospiro[2.4]hepta-4,6-diene?
2-chlorospiro[2.4]hepta-4,6-diene has a molecular weight of 126.59 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorospiro[2.4]hepta-4,6-diene is sourced from PubChem (CID 13398021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).