1,2,3,4-tetrachloro-5-prop-2-enylcyclopenta-1,3-diene

C8H6Cl4 — CID 54351521

IUPAC1,2,3,4-tetrachloro-5-prop-2-enylcyclopenta-1,3-diene
SMILESC=CCC1C(Cl)=C(Cl)C(Cl)=C1Cl
InChIInChI=1S/C8H6Cl4/c1-2-3-4-5(9)7(11)8(12)6(4)10/h2,4H,1,3H2
InChIKeyUGCOSNSUAMNNTP-UHFFFAOYSA-N
MW243.95 g/mol
LogP4.57
Rot. Bonds2

About 1,2,3,4-tetrachloro-5-prop-2-enylcyclopenta-1,3-diene

1,2,3,4-tetrachloro-5-prop-2-enylcyclopenta-1,3-diene (PubChem CID 54351521) has the molecular formula C8H6Cl4 and a molecular weight of 243.95 g/mol. Its IUPAC name is 1,2,3,4-tetrachloro-5-prop-2-enylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,4-tetrachloro-5-prop-2-enylcyclopenta-1,3-diene
PubChem CID54351521
Molecular FormulaC8H6Cl4
Molecular Weight243.95 g/mol
Exact Mass241.92
IUPAC Name1,2,3,4-tetrachloro-5-prop-2-enylcyclopenta-1,3-diene
SMILESC=CCC1C(Cl)=C(Cl)C(Cl)=C1Cl
InChIInChI=1S/C8H6Cl4/c1-2-3-4-5(9)7(11)8(12)6(4)10/h2,4H,1,3H2
InChIKeyUGCOSNSUAMNNTP-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.95
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrachloro-5-prop-2-enylcyclopenta-1,3-diene?
The IUPAC name of 1,2,3,4-tetrachloro-5-prop-2-enylcyclopenta-1,3-diene (CID 54351521) is 1,2,3,4-tetrachloro-5-prop-2-enylcyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,4-tetrachloro-5-prop-2-enylcyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,4-tetrachloro-5-prop-2-enylcyclopenta-1,3-diene is C=CCC1C(Cl)=C(Cl)C(Cl)=C1Cl.
What is the InChIKey of 1,2,3,4-tetrachloro-5-prop-2-enylcyclopenta-1,3-diene?
The InChIKey is UGCOSNSUAMNNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl4/c1-2-3-4-5(9)7(11)8(12)6(4)10/h2,4H,1,3H2.
What are the key properties of 1,2,3,4-tetrachloro-5-prop-2-enylcyclopenta-1,3-diene?
1,2,3,4-tetrachloro-5-prop-2-enylcyclopenta-1,3-diene has a molecular weight of 243.95 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrachloro-5-prop-2-enylcyclopenta-1,3-diene is sourced from PubChem (CID 54351521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).