4-(5-chloropent-2-enyl)oxane

C10H17ClO — CID 79604115

IUPAC4-(5-chloropent-2-enyl)oxane
SMILESClCCC=CCC1CCOCC1
InChIInChI=1S/C10H17ClO/c11-7-3-1-2-4-10-5-8-12-9-6-10/h1-2,10H,3-9H2
InChIKeyVJEOZVMFYHCBLE-UHFFFAOYSA-N
MW188.70 g/mol
LogP2.99
Rot. Bonds4

About 4-(5-chloropent-2-enyl)oxane

4-(5-chloropent-2-enyl)oxane (PubChem CID 79604115) has the molecular formula C10H17ClO and a molecular weight of 188.70 g/mol. Its IUPAC name is 4-(5-chloropent-2-enyl)oxane.

Molecular Properties

Compound Name4-(5-chloropent-2-enyl)oxane
PubChem CID79604115
Molecular FormulaC10H17ClO
Molecular Weight188.70 g/mol
Exact Mass188.10
IUPAC Name4-(5-chloropent-2-enyl)oxane
SMILESClCCC=CCC1CCOCC1
InChIInChI=1S/C10H17ClO/c11-7-3-1-2-4-10-5-8-12-9-6-10/h1-2,10H,3-9H2
InChIKeyVJEOZVMFYHCBLE-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 52.99
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 4-(5-chloropent-2-enyl)oxane?
The IUPAC name of 4-(5-chloropent-2-enyl)oxane (CID 79604115) is 4-(5-chloropent-2-enyl)oxane.
What is the SMILES notation for 4-(5-chloropent-2-enyl)oxane?
The canonical SMILES for 4-(5-chloropent-2-enyl)oxane is ClCCC=CCC1CCOCC1.
What is the InChIKey of 4-(5-chloropent-2-enyl)oxane?
The InChIKey is VJEOZVMFYHCBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO/c11-7-3-1-2-4-10-5-8-12-9-6-10/h1-2,10H,3-9H2.
What are the key properties of 4-(5-chloropent-2-enyl)oxane?
4-(5-chloropent-2-enyl)oxane has a molecular weight of 188.70 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloropent-2-enyl)oxane is sourced from PubChem (CID 79604115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).