2-(5-chloropent-2-enyl)oxolane

C9H15ClO — CID 79604112

IUPAC2-(5-chloropent-2-enyl)oxolane
SMILESClCCC=CCC1CCCO1
InChIInChI=1S/C9H15ClO/c10-7-3-1-2-5-9-6-4-8-11-9/h1-2,9H,3-8H2
InChIKeyMZLGCXIOGOZEGL-UHFFFAOYSA-N
MW174.67 g/mol
LogP2.74
Rot. Bonds4

About 2-(5-chloropent-2-enyl)oxolane

2-(5-chloropent-2-enyl)oxolane (PubChem CID 79604112) has the molecular formula C9H15ClO and a molecular weight of 174.67 g/mol. Its IUPAC name is 2-(5-chloropent-2-enyl)oxolane.

Molecular Properties

Compound Name2-(5-chloropent-2-enyl)oxolane
PubChem CID79604112
Molecular FormulaC9H15ClO
Molecular Weight174.67 g/mol
Exact Mass174.08
IUPAC Name2-(5-chloropent-2-enyl)oxolane
SMILESClCCC=CCC1CCCO1
InChIInChI=1S/C9H15ClO/c10-7-3-1-2-5-9-6-4-8-11-9/h1-2,9H,3-8H2
InChIKeyMZLGCXIOGOZEGL-UHFFFAOYSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 2-(5-chloropent-2-enyl)oxolane?
The IUPAC name of 2-(5-chloropent-2-enyl)oxolane (CID 79604112) is 2-(5-chloropent-2-enyl)oxolane.
What is the SMILES notation for 2-(5-chloropent-2-enyl)oxolane?
The canonical SMILES for 2-(5-chloropent-2-enyl)oxolane is ClCCC=CCC1CCCO1.
What is the InChIKey of 2-(5-chloropent-2-enyl)oxolane?
The InChIKey is MZLGCXIOGOZEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClO/c10-7-3-1-2-5-9-6-4-8-11-9/h1-2,9H,3-8H2.
What are the key properties of 2-(5-chloropent-2-enyl)oxolane?
2-(5-chloropent-2-enyl)oxolane has a molecular weight of 174.67 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropent-2-enyl)oxolane is sourced from PubChem (CID 79604112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).