2-[(Z)-3-chloroprop-2-enoxy]oxane

C8H13ClO2 — CID 138969031

IUPAC2-[(Z)-3-chloroprop-2-enoxy]oxane
SMILESCl/C=C\COC1CCCCO1
InChIInChI=1S/C8H13ClO2/c9-5-3-7-11-8-4-1-2-6-10-8/h3,5,8H,1-2,4,6-7H2/b5-3-
InChIKeyJYXPCGIXODHASW-HYXAFXHYSA-N
MW176.64 g/mol
LogP2.28
Rot. Bonds3

About 2-[(Z)-3-chloroprop-2-enoxy]oxane

2-[(Z)-3-chloroprop-2-enoxy]oxane (PubChem CID 138969031) has the molecular formula C8H13ClO2 and a molecular weight of 176.64 g/mol. Its IUPAC name is 2-[(Z)-3-chloroprop-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-3-chloroprop-2-enoxy]oxane
PubChem CID138969031
Molecular FormulaC8H13ClO2
Molecular Weight176.64 g/mol
Exact Mass176.06
IUPAC Name2-[(Z)-3-chloroprop-2-enoxy]oxane
SMILESCl/C=C\COC1CCCCO1
InChIInChI=1S/C8H13ClO2/c9-5-3-7-11-8-4-1-2-6-10-8/h3,5,8H,1-2,4,6-7H2/b5-3-
InChIKeyJYXPCGIXODHASW-HYXAFXHYSA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.64
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-chloroprop-2-enoxy]oxane?
The IUPAC name of 2-[(Z)-3-chloroprop-2-enoxy]oxane (CID 138969031) is 2-[(Z)-3-chloroprop-2-enoxy]oxane.
What is the SMILES notation for 2-[(Z)-3-chloroprop-2-enoxy]oxane?
The canonical SMILES for 2-[(Z)-3-chloroprop-2-enoxy]oxane is Cl/C=C\COC1CCCCO1.
What is the InChIKey of 2-[(Z)-3-chloroprop-2-enoxy]oxane?
The InChIKey is JYXPCGIXODHASW-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H13ClO2/c9-5-3-7-11-8-4-1-2-6-10-8/h3,5,8H,1-2,4,6-7H2/b5-3-.
What are the key properties of 2-[(Z)-3-chloroprop-2-enoxy]oxane?
2-[(Z)-3-chloroprop-2-enoxy]oxane has a molecular weight of 176.64 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-chloroprop-2-enoxy]oxane is sourced from PubChem (CID 138969031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).