2-[(E)-5-(1,3-dioxolan-2-yl)pent-2-enoxy]oxane

C13H22O4 — CID 134993873

IUPAC2-[(E)-5-(1,3-dioxolan-2-yl)pent-2-enoxy]oxane
SMILESC(=C/COC1CCCCO1)\CCC1OCCO1
InChIInChI=1S/C13H22O4/c1(2-6-13-16-10-11-17-13)4-8-14-12-7-3-5-9-15-12/h1,4,12-13H,2-3,5-11H2/b4-1+
InChIKeyLJPKRSFIGFBBEY-DAFODLJHSA-N
MW242.31 g/mol
LogP2.24
Rot. Bonds6

About 2-[(E)-5-(1,3-dioxolan-2-yl)pent-2-enoxy]oxane

2-[(E)-5-(1,3-dioxolan-2-yl)pent-2-enoxy]oxane (PubChem CID 134993873) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is 2-[(E)-5-(1,3-dioxolan-2-yl)pent-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-5-(1,3-dioxolan-2-yl)pent-2-enoxy]oxane
PubChem CID134993873
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name2-[(E)-5-(1,3-dioxolan-2-yl)pent-2-enoxy]oxane
SMILESC(=C/COC1CCCCO1)\CCC1OCCO1
InChIInChI=1S/C13H22O4/c1(2-6-13-16-10-11-17-13)4-8-14-12-7-3-5-9-15-12/h1,4,12-13H,2-3,5-11H2/b4-1+
InChIKeyLJPKRSFIGFBBEY-DAFODLJHSA-N
XLogP2.24
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(E)-5-(1,3-dioxolan-2-yl)pent-2-enoxy]oxane?
The IUPAC name of 2-[(E)-5-(1,3-dioxolan-2-yl)pent-2-enoxy]oxane (CID 134993873) is 2-[(E)-5-(1,3-dioxolan-2-yl)pent-2-enoxy]oxane.
What is the SMILES notation for 2-[(E)-5-(1,3-dioxolan-2-yl)pent-2-enoxy]oxane?
The canonical SMILES for 2-[(E)-5-(1,3-dioxolan-2-yl)pent-2-enoxy]oxane is C(=C/COC1CCCCO1)\CCC1OCCO1.
What is the InChIKey of 2-[(E)-5-(1,3-dioxolan-2-yl)pent-2-enoxy]oxane?
The InChIKey is LJPKRSFIGFBBEY-DAFODLJHSA-N. The full InChI is InChI=1S/C13H22O4/c1(2-6-13-16-10-11-17-13)4-8-14-12-7-3-5-9-15-12/h1,4,12-13H,2-3,5-11H2/b4-1+.
What are the key properties of 2-[(E)-5-(1,3-dioxolan-2-yl)pent-2-enoxy]oxane?
2-[(E)-5-(1,3-dioxolan-2-yl)pent-2-enoxy]oxane has a molecular weight of 242.31 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-5-(1,3-dioxolan-2-yl)pent-2-enoxy]oxane is sourced from PubChem (CID 134993873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).