2-(1,1-dideuterioprop-2-enoxy)oxane

C8H14O2 — CID 170556312

IUPAC2-(1,1-dideuterioprop-2-enoxy)oxane
SMILES[2H]C([2H])(C=C)OC1CCCCO1
InChIInChI=1S/C8H14O2/c1-2-6-9-8-5-3-4-7-10-8/h2,8H,1,3-7H2/i6D2
InChIKeyNRAKYXXDEXCVMV-NCYHJHSESA-N
MW144.21 g/mol
LogP1.72
Rot. Bonds3

About 2-(1,1-dideuterioprop-2-enoxy)oxane

2-(1,1-dideuterioprop-2-enoxy)oxane (PubChem CID 170556312) has the molecular formula C8H14O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-(1,1-dideuterioprop-2-enoxy)oxane.

Molecular Properties

Compound Name2-(1,1-dideuterioprop-2-enoxy)oxane
PubChem CID170556312
Molecular FormulaC8H14O2
Molecular Weight144.21 g/mol
Exact Mass144.11
IUPAC Name2-(1,1-dideuterioprop-2-enoxy)oxane
SMILES[2H]C([2H])(C=C)OC1CCCCO1
InChIInChI=1S/C8H14O2/c1-2-6-9-8-5-3-4-7-10-8/h2,8H,1,3-7H2/i6D2
InChIKeyNRAKYXXDEXCVMV-NCYHJHSESA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dideuterioprop-2-enoxy)oxane?
The IUPAC name of 2-(1,1-dideuterioprop-2-enoxy)oxane (CID 170556312) is 2-(1,1-dideuterioprop-2-enoxy)oxane.
What is the SMILES notation for 2-(1,1-dideuterioprop-2-enoxy)oxane?
The canonical SMILES for 2-(1,1-dideuterioprop-2-enoxy)oxane is [2H]C([2H])(C=C)OC1CCCCO1.
What is the InChIKey of 2-(1,1-dideuterioprop-2-enoxy)oxane?
The InChIKey is NRAKYXXDEXCVMV-NCYHJHSESA-N. The full InChI is InChI=1S/C8H14O2/c1-2-6-9-8-5-3-4-7-10-8/h2,8H,1,3-7H2/i6D2.
What are the key properties of 2-(1,1-dideuterioprop-2-enoxy)oxane?
2-(1,1-dideuterioprop-2-enoxy)oxane has a molecular weight of 144.21 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dideuterioprop-2-enoxy)oxane is sourced from PubChem (CID 170556312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).