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

C9H15ClO — CID 106201200

IUPAC2-[(E)-4-chlorobut-2-enoxy]ethylcyclopropane
SMILESClC/C=C/COCCC1CC1
InChIInChI=1S/C9H15ClO/c10-6-1-2-7-11-8-5-9-3-4-9/h1-2,9H,3-8H2/b2-1+
InChIKeyDURNEGDXFDKQQM-OWOJBTEDSA-N
MW174.67 g/mol
LogP2.60
Rot. Bonds6

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

2-[(E)-4-chlorobut-2-enoxy]ethylcyclopropane (PubChem CID 106201200) has the molecular formula C9H15ClO and a molecular weight of 174.67 g/mol. Its IUPAC name is 2-[(E)-4-chlorobut-2-enoxy]ethylcyclopropane.

Molecular Properties

Compound Name2-[(E)-4-chlorobut-2-enoxy]ethylcyclopropane
PubChem CID106201200
Molecular FormulaC9H15ClO
Molecular Weight174.67 g/mol
Exact Mass174.08
IUPAC Name2-[(E)-4-chlorobut-2-enoxy]ethylcyclopropane
SMILESClC/C=C/COCCC1CC1
InChIInChI=1S/C9H15ClO/c10-6-1-2-7-11-8-5-9-3-4-9/h1-2,9H,3-8H2/b2-1+
InChIKeyDURNEGDXFDKQQM-OWOJBTEDSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 52.60
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 2-[(E)-4-chlorobut-2-enoxy]ethylcyclopropane?
The IUPAC name of 2-[(E)-4-chlorobut-2-enoxy]ethylcyclopropane (CID 106201200) is 2-[(E)-4-chlorobut-2-enoxy]ethylcyclopropane.
What is the SMILES notation for 2-[(E)-4-chlorobut-2-enoxy]ethylcyclopropane?
The canonical SMILES for 2-[(E)-4-chlorobut-2-enoxy]ethylcyclopropane is ClC/C=C/COCCC1CC1.
What is the InChIKey of 2-[(E)-4-chlorobut-2-enoxy]ethylcyclopropane?
The InChIKey is DURNEGDXFDKQQM-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H15ClO/c10-6-1-2-7-11-8-5-9-3-4-9/h1-2,9H,3-8H2/b2-1+.
What are the key properties of 2-[(E)-4-chlorobut-2-enoxy]ethylcyclopropane?
2-[(E)-4-chlorobut-2-enoxy]ethylcyclopropane has a molecular weight of 174.67 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-chlorobut-2-enoxy]ethylcyclopropane is sourced from PubChem (CID 106201200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).