2,3,4,5-tetrakis(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane

C21H22O6 — CID 134841325

IUPAC2,3,4,5-tetrakis(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane
SMILESC#CCOCC1OC(OCC#C)C(OCC#C)C(OCC#C)C1OCC#C
InChIInChI=1S/C21H22O6/c1-6-11-22-16-17-18(23-12-7-2)19(24-13-8-3)20(25-14-9-4)21(27-17)26-15-10-5/h1-5,17-21H,11-16H2
InChIKeyOMTNTYVKIAMRBS-UHFFFAOYSA-N
MW370.40 g/mol
LogP0.07
Rot. Bonds11

About 2,3,4,5-tetrakis(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane

2,3,4,5-tetrakis(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane (PubChem CID 134841325) has the molecular formula C21H22O6 and a molecular weight of 370.40 g/mol. Its IUPAC name is 2,3,4,5-tetrakis(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane.

Molecular Properties

Compound Name2,3,4,5-tetrakis(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane
PubChem CID134841325
Molecular FormulaC21H22O6
Molecular Weight370.40 g/mol
Exact Mass370.14
IUPAC Name2,3,4,5-tetrakis(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane
SMILESC#CCOCC1OC(OCC#C)C(OCC#C)C(OCC#C)C1OCC#C
InChIInChI=1S/C21H22O6/c1-6-11-22-16-17-18(23-12-7-2)19(24-13-8-3)20(25-14-9-4)21(27-17)26-15-10-5/h1-5,17-21H,11-16H2
InChIKeyOMTNTYVKIAMRBS-UHFFFAOYSA-N
XLogP0.07
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrakis(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane?
The IUPAC name of 2,3,4,5-tetrakis(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane (CID 134841325) is 2,3,4,5-tetrakis(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane.
What is the SMILES notation for 2,3,4,5-tetrakis(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane?
The canonical SMILES for 2,3,4,5-tetrakis(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane is C#CCOCC1OC(OCC#C)C(OCC#C)C(OCC#C)C1OCC#C.
What is the InChIKey of 2,3,4,5-tetrakis(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane?
The InChIKey is OMTNTYVKIAMRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O6/c1-6-11-22-16-17-18(23-12-7-2)19(24-13-8-3)20(25-14-9-4)21(27-17)26-15-10-5/h1-5,17-21H,11-16H2.
What are the key properties of 2,3,4,5-tetrakis(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane?
2,3,4,5-tetrakis(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane has a molecular weight of 370.40 g/mol, XLogP of 0.07, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrakis(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane is sourced from PubChem (CID 134841325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).