(1E,3E)-1,5-dichloropenta-1,3-diene

C5H6Cl2 — CID 22140148

IUPAC(1E,3E)-1,5-dichloropenta-1,3-diene
SMILESCl/C=C/C=C/CCl
InChIInChI=1S/C5H6Cl2/c6-4-2-1-3-5-7/h1-4H,5H2/b3-1+,4-2+
InChIKeyGFKQAUBYOTULAL-ZPUQHVIOSA-N
MW137.01 g/mol
LogP2.53
Rot. Bonds2

About (1E,3E)-1,5-dichloropenta-1,3-diene

(1E,3E)-1,5-dichloropenta-1,3-diene (PubChem CID 22140148) has the molecular formula C5H6Cl2 and a molecular weight of 137.01 g/mol. Its IUPAC name is (1E,3E)-1,5-dichloropenta-1,3-diene.

Molecular Properties

Compound Name(1E,3E)-1,5-dichloropenta-1,3-diene
PubChem CID22140148
Molecular FormulaC5H6Cl2
Molecular Weight137.01 g/mol
Exact Mass135.98
IUPAC Name(1E,3E)-1,5-dichloropenta-1,3-diene
SMILESCl/C=C/C=C/CCl
InChIInChI=1S/C5H6Cl2/c6-4-2-1-3-5-7/h1-4H,5H2/b3-1+,4-2+
InChIKeyGFKQAUBYOTULAL-ZPUQHVIOSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.01
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-Dichloro-2-butene
CID 15122
1,4-Dichloro-2-butene, (2E)-
CID 642197
1,4-Dichloro-cis-2-butene
CID 6432115
1-Chlorobuta-1,3-diene
CID 5462923
1,3-Butadiene, 1-chloro-
CID 12311
1,4-Dichloro-1,3-butadiene
CID 34285
Cis-1-chloro-1,3-butadiene
CID 5462718
1,3-Butadiene, 1,2-dichloro-
CID 5463151
(1E,3Z)-1,4-Dichlorobuta-1,3-diene
CID 6437303
1-Chloro-2,4-hexadiene
CID 642180
(3E)-5-chloropenta-1,3-diene
CID 642204
(z,z)-1,4-Dichloro-1,3-butadiene
CID 21765856

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1,5-dichloropenta-1,3-diene?
The IUPAC name of (1E,3E)-1,5-dichloropenta-1,3-diene (CID 22140148) is (1E,3E)-1,5-dichloropenta-1,3-diene.
What is the SMILES notation for (1E,3E)-1,5-dichloropenta-1,3-diene?
The canonical SMILES for (1E,3E)-1,5-dichloropenta-1,3-diene is Cl/C=C/C=C/CCl.
What is the InChIKey of (1E,3E)-1,5-dichloropenta-1,3-diene?
The InChIKey is GFKQAUBYOTULAL-ZPUQHVIOSA-N. The full InChI is InChI=1S/C5H6Cl2/c6-4-2-1-3-5-7/h1-4H,5H2/b3-1+,4-2+.
What are the key properties of (1E,3E)-1,5-dichloropenta-1,3-diene?
(1E,3E)-1,5-dichloropenta-1,3-diene has a molecular weight of 137.01 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1,5-dichloropenta-1,3-diene is sourced from PubChem (CID 22140148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).