1-chloro-5-(5-chloropent-3-enoxy)pent-2-ene

C10H16Cl2O — CID 3371850

IUPAC1-chloro-5-(5-chloropent-3-enoxy)pent-2-ene
SMILESClCC=CCCOCCC=CCCl
InChIInChI=1S/C10H16Cl2O/c11-7-3-1-5-9-13-10-6-2-4-8-12/h1-4H,5-10H2
InChIKeyUTBXZVIHXKWDGH-UHFFFAOYSA-N
MW223.14 g/mol
LogP3.37
Rot. Bonds8

About 1-chloro-5-(5-chloropent-3-enoxy)pent-2-ene

1-chloro-5-(5-chloropent-3-enoxy)pent-2-ene (PubChem CID 3371850) has the molecular formula C10H16Cl2O and a molecular weight of 223.14 g/mol. Its IUPAC name is 1-chloro-5-(5-chloropent-3-enoxy)pent-2-ene.

Molecular Properties

Compound Name1-chloro-5-(5-chloropent-3-enoxy)pent-2-ene
PubChem CID3371850
Molecular FormulaC10H16Cl2O
Molecular Weight223.14 g/mol
Exact Mass222.06
IUPAC Name1-chloro-5-(5-chloropent-3-enoxy)pent-2-ene
SMILESClCC=CCCOCCC=CCCl
InChIInChI=1S/C10H16Cl2O/c11-7-3-1-5-9-13-10-6-2-4-8-12/h1-4H,5-10H2
InChIKeyUTBXZVIHXKWDGH-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.14
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-(5-chloropent-3-enoxy)pent-2-ene?
The IUPAC name of 1-chloro-5-(5-chloropent-3-enoxy)pent-2-ene (CID 3371850) is 1-chloro-5-(5-chloropent-3-enoxy)pent-2-ene.
What is the SMILES notation for 1-chloro-5-(5-chloropent-3-enoxy)pent-2-ene?
The canonical SMILES for 1-chloro-5-(5-chloropent-3-enoxy)pent-2-ene is ClCC=CCCOCCC=CCCl.
What is the InChIKey of 1-chloro-5-(5-chloropent-3-enoxy)pent-2-ene?
The InChIKey is UTBXZVIHXKWDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2O/c11-7-3-1-5-9-13-10-6-2-4-8-12/h1-4H,5-10H2.
What are the key properties of 1-chloro-5-(5-chloropent-3-enoxy)pent-2-ene?
1-chloro-5-(5-chloropent-3-enoxy)pent-2-ene has a molecular weight of 223.14 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-(5-chloropent-3-enoxy)pent-2-ene is sourced from PubChem (CID 3371850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).