3,4,5-tris(ethenoxy)-2-(ethenoxymethyl)oxane

C14H20O5 — CID 58944195

IUPAC3,4,5-tris(ethenoxy)-2-(ethenoxymethyl)oxane
SMILESC=COCC1OCC(OC=C)C(OC=C)C1OC=C
InChIInChI=1S/C14H20O5/c1-5-15-9-11-13(17-7-3)14(18-8-4)12(10-19-11)16-6-2/h5-8,11-14H,1-4,9-10H2
InChIKeyDZPDIDDNKOJTSN-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.13
Rot. Bonds9

About 3,4,5-tris(ethenoxy)-2-(ethenoxymethyl)oxane

3,4,5-tris(ethenoxy)-2-(ethenoxymethyl)oxane (PubChem CID 58944195) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3,4,5-tris(ethenoxy)-2-(ethenoxymethyl)oxane.

Molecular Properties

Compound Name3,4,5-tris(ethenoxy)-2-(ethenoxymethyl)oxane
PubChem CID58944195
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name3,4,5-tris(ethenoxy)-2-(ethenoxymethyl)oxane
SMILESC=COCC1OCC(OC=C)C(OC=C)C1OC=C
InChIInChI=1S/C14H20O5/c1-5-15-9-11-13(17-7-3)14(18-8-4)12(10-19-11)16-6-2/h5-8,11-14H,1-4,9-10H2
InChIKeyDZPDIDDNKOJTSN-UHFFFAOYSA-N
XLogP2.13
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-tris(ethenoxy)-2-(ethenoxymethyl)oxane?
The IUPAC name of 3,4,5-tris(ethenoxy)-2-(ethenoxymethyl)oxane (CID 58944195) is 3,4,5-tris(ethenoxy)-2-(ethenoxymethyl)oxane.
What is the SMILES notation for 3,4,5-tris(ethenoxy)-2-(ethenoxymethyl)oxane?
The canonical SMILES for 3,4,5-tris(ethenoxy)-2-(ethenoxymethyl)oxane is C=COCC1OCC(OC=C)C(OC=C)C1OC=C.
What is the InChIKey of 3,4,5-tris(ethenoxy)-2-(ethenoxymethyl)oxane?
The InChIKey is DZPDIDDNKOJTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-5-15-9-11-13(17-7-3)14(18-8-4)12(10-19-11)16-6-2/h5-8,11-14H,1-4,9-10H2.
What are the key properties of 3,4,5-tris(ethenoxy)-2-(ethenoxymethyl)oxane?
3,4,5-tris(ethenoxy)-2-(ethenoxymethyl)oxane has a molecular weight of 268.31 g/mol, XLogP of 2.13, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tris(ethenoxy)-2-(ethenoxymethyl)oxane is sourced from PubChem (CID 58944195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).