1,2,3,5,5-pentachloro-4-decylcyclopenta-1,3-diene

C15H21Cl5 — CID 70626304

IUPAC1,2,3,5,5-pentachloro-4-decylcyclopenta-1,3-diene
SMILESCCCCCCCCCCC1=C(Cl)C(Cl)=C(Cl)C1(Cl)Cl
InChIInChI=1S/C15H21Cl5/c1-2-3-4-5-6-7-8-9-10-11-12(16)13(17)14(18)15(11,19)20/h2-10H2,1H3
InChIKeyLWNSQKASUUCJJH-UHFFFAOYSA-N
MW378.60 g/mol
LogP7.89
Rot. Bonds9

About 1,2,3,5,5-pentachloro-4-decylcyclopenta-1,3-diene

1,2,3,5,5-pentachloro-4-decylcyclopenta-1,3-diene (PubChem CID 70626304) has the molecular formula C15H21Cl5 and a molecular weight of 378.60 g/mol. Its IUPAC name is 1,2,3,5,5-pentachloro-4-decylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,5,5-pentachloro-4-decylcyclopenta-1,3-diene
PubChem CID70626304
Molecular FormulaC15H21Cl5
Molecular Weight378.60 g/mol
Exact Mass376.01
IUPAC Name1,2,3,5,5-pentachloro-4-decylcyclopenta-1,3-diene
SMILESCCCCCCCCCCC1=C(Cl)C(Cl)=C(Cl)C1(Cl)Cl
InChIInChI=1S/C15H21Cl5/c1-2-3-4-5-6-7-8-9-10-11-12(16)13(17)14(18)15(11,19)20/h2-10H2,1H3
InChIKeyLWNSQKASUUCJJH-UHFFFAOYSA-N
XLogP7.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,5-pentachloro-4-decylcyclopenta-1,3-diene?
The IUPAC name of 1,2,3,5,5-pentachloro-4-decylcyclopenta-1,3-diene (CID 70626304) is 1,2,3,5,5-pentachloro-4-decylcyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,5,5-pentachloro-4-decylcyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,5,5-pentachloro-4-decylcyclopenta-1,3-diene is CCCCCCCCCCC1=C(Cl)C(Cl)=C(Cl)C1(Cl)Cl.
What is the InChIKey of 1,2,3,5,5-pentachloro-4-decylcyclopenta-1,3-diene?
The InChIKey is LWNSQKASUUCJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl5/c1-2-3-4-5-6-7-8-9-10-11-12(16)13(17)14(18)15(11,19)20/h2-10H2,1H3.
What are the key properties of 1,2,3,5,5-pentachloro-4-decylcyclopenta-1,3-diene?
1,2,3,5,5-pentachloro-4-decylcyclopenta-1,3-diene has a molecular weight of 378.60 g/mol, XLogP of 7.89, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,5-pentachloro-4-decylcyclopenta-1,3-diene is sourced from PubChem (CID 70626304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).