2-[(E)-8-chlorooct-7-enoxy]oxane

C13H23ClO2 — CID 13315298

IUPAC2-[(E)-8-chlorooct-7-enoxy]oxane
SMILESCl/C=C/CCCCCCOC1CCCCO1
InChIInChI=1S/C13H23ClO2/c14-10-6-3-1-2-4-7-11-15-13-9-5-8-12-16-13/h6,10,13H,1-5,7-9,11-12H2/b10-6+
InChIKeyDZXMYVZEIPFWSW-UXBLZVDNSA-N
MW246.78 g/mol
LogP4.23
Rot. Bonds8

About 2-[(E)-8-chlorooct-7-enoxy]oxane

2-[(E)-8-chlorooct-7-enoxy]oxane (PubChem CID 13315298) has the molecular formula C13H23ClO2 and a molecular weight of 246.78 g/mol. Its IUPAC name is 2-[(E)-8-chlorooct-7-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-8-chlorooct-7-enoxy]oxane
PubChem CID13315298
Molecular FormulaC13H23ClO2
Molecular Weight246.78 g/mol
Exact Mass246.14
IUPAC Name2-[(E)-8-chlorooct-7-enoxy]oxane
SMILESCl/C=C/CCCCCCOC1CCCCO1
InChIInChI=1S/C13H23ClO2/c14-10-6-3-1-2-4-7-11-15-13-9-5-8-12-16-13/h6,10,13H,1-5,7-9,11-12H2/b10-6+
InChIKeyDZXMYVZEIPFWSW-UXBLZVDNSA-N
XLogP4.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-8-chlorooct-7-enoxy]oxane?
The IUPAC name of 2-[(E)-8-chlorooct-7-enoxy]oxane (CID 13315298) is 2-[(E)-8-chlorooct-7-enoxy]oxane.
What is the SMILES notation for 2-[(E)-8-chlorooct-7-enoxy]oxane?
The canonical SMILES for 2-[(E)-8-chlorooct-7-enoxy]oxane is Cl/C=C/CCCCCCOC1CCCCO1.
What is the InChIKey of 2-[(E)-8-chlorooct-7-enoxy]oxane?
The InChIKey is DZXMYVZEIPFWSW-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H23ClO2/c14-10-6-3-1-2-4-7-11-15-13-9-5-8-12-16-13/h6,10,13H,1-5,7-9,11-12H2/b10-6+.
What are the key properties of 2-[(E)-8-chlorooct-7-enoxy]oxane?
2-[(E)-8-chlorooct-7-enoxy]oxane has a molecular weight of 246.78 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-8-chlorooct-7-enoxy]oxane is sourced from PubChem (CID 13315298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).