2-[(E)-4-chlorobut-2-enoxy]oxane

C9H15ClO2 — CID 5386823

IUPAC2-[(E)-4-chlorobut-2-enoxy]oxane
SMILESClC/C=C/COC1CCCCO1
InChIInChI=1S/C9H15ClO2/c10-6-2-4-8-12-9-5-1-3-7-11-9/h2,4,9H,1,3,5-8H2/b4-2+
InChIKeyMEQZNJKQSDWFHR-DUXPYHPUSA-N
MW190.67 g/mol
LogP2.32
Rot. Bonds4

About 2-[(E)-4-chlorobut-2-enoxy]oxane

2-[(E)-4-chlorobut-2-enoxy]oxane (PubChem CID 5386823) has the molecular formula C9H15ClO2 and a molecular weight of 190.67 g/mol. Its IUPAC name is 2-[(E)-4-chlorobut-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-4-chlorobut-2-enoxy]oxane
PubChem CID5386823
Molecular FormulaC9H15ClO2
Molecular Weight190.67 g/mol
Exact Mass190.08
IUPAC Name2-[(E)-4-chlorobut-2-enoxy]oxane
SMILESClC/C=C/COC1CCCCO1
InChIInChI=1S/C9H15ClO2/c10-6-2-4-8-12-9-5-1-3-7-11-9/h2,4,9H,1,3,5-8H2/b4-2+
InChIKeyMEQZNJKQSDWFHR-DUXPYHPUSA-N
XLogP2.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-but-2-enoxy]oxane
CID 11788432
2-[(Z)-4-chloro-2-fluorobut-2-enoxy]oxane
CID 19752481
2-(4-Chloro-2-fluorobut-2-enoxy)oxane
CID 53741094
(E)-1-chloro-3-fluoro-4-(2-tetrahydropyranvloxy)-2-butene
CID 67784992
(E)-2-(4-Chloro-2-methylbut-2-en yloxy)tetrahydro-2H-pyran
CID 11138218
2-[(Z)-4-chloro-2-methylbut-2-enoxy]oxane
CID 13821192
2-[(Z)-3-chloroprop-2-enoxy]oxane
CID 138969031
2-(4-Chloro-3-methylbut-2-enyloxy)tetrahydropyran
CID 5367911
2-(4-Chlorobut-2-enoxy)oxane
CID 358287
2-(4-Chloro-3-methylbut-2-enoxy)oxane
CID 558916
2-[4-Chloro-(Z)-2-butenyloxy]tetrahydro-2H-pyran
CID 11030611
2-[2-(Chloromethyl)prop-2-enoxy]oxane
CID 11367507

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-chlorobut-2-enoxy]oxane?
The IUPAC name of 2-[(E)-4-chlorobut-2-enoxy]oxane (CID 5386823) is 2-[(E)-4-chlorobut-2-enoxy]oxane.
What is the SMILES notation for 2-[(E)-4-chlorobut-2-enoxy]oxane?
The canonical SMILES for 2-[(E)-4-chlorobut-2-enoxy]oxane is ClC/C=C/COC1CCCCO1.
What is the InChIKey of 2-[(E)-4-chlorobut-2-enoxy]oxane?
The InChIKey is MEQZNJKQSDWFHR-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H15ClO2/c10-6-2-4-8-12-9-5-1-3-7-11-9/h2,4,9H,1,3,5-8H2/b4-2+.
What are the key properties of 2-[(E)-4-chlorobut-2-enoxy]oxane?
2-[(E)-4-chlorobut-2-enoxy]oxane has a molecular weight of 190.67 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-chlorobut-2-enoxy]oxane is sourced from PubChem (CID 5386823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).