(2R,3S,5R)-2,3,4-tris(dec-9-enoxy)-5-ethyloxolane

C36H66O4 — CID 167619322

IUPAC(2R,3S,5R)-2,3,4-tris(dec-9-enoxy)-5-ethyloxolane
SMILESC=CCCCCCCCCOC1[C@@H](CC)O[C@@H](OCCCCCCCCC=C)[C@H]1OCCCCCCCCC=C
InChIInChI=1S/C36H66O4/c1-5-9-12-15-18-21-24-27-30-37-34-33(8-4)40-36(39-32-29-26-23-20-17-14-11-7-3)35(34)38-31-28-25-22-19-16-13-10-6-2/h5-7,33-36H,1-3,8-32H2,4H3/t33-,34?,35+,36-/m1/s1
InChIKeyMFAQDZQDLJPHEV-ABUCHCICSA-N
MW562.92 g/mol
LogP10.66
Rot. Bonds31

About (2R,3S,5R)-2,3,4-tris(dec-9-enoxy)-5-ethyloxolane

(2R,3S,5R)-2,3,4-tris(dec-9-enoxy)-5-ethyloxolane (PubChem CID 167619322) has the molecular formula C36H66O4 and a molecular weight of 562.92 g/mol. Its IUPAC name is (2R,3S,5R)-2,3,4-tris(dec-9-enoxy)-5-ethyloxolane.

Molecular Properties

Compound Name(2R,3S,5R)-2,3,4-tris(dec-9-enoxy)-5-ethyloxolane
PubChem CID167619322
Molecular FormulaC36H66O4
Molecular Weight562.92 g/mol
Exact Mass562.50
IUPAC Name(2R,3S,5R)-2,3,4-tris(dec-9-enoxy)-5-ethyloxolane
SMILESC=CCCCCCCCCOC1[C@@H](CC)O[C@@H](OCCCCCCCCC=C)[C@H]1OCCCCCCCCC=C
InChIInChI=1S/C36H66O4/c1-5-9-12-15-18-21-24-27-30-37-34-33(8-4)40-36(39-32-29-26-23-20-17-14-11-7-3)35(34)38-31-28-25-22-19-16-13-10-6-2/h5-7,33-36H,1-3,8-32H2,4H3/t33-,34?,35+,36-/m1/s1
InChIKeyMFAQDZQDLJPHEV-ABUCHCICSA-N
XLogP10.66
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds31
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.92
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-2,3,4-tris(dec-9-enoxy)-5-ethyloxolane?
The IUPAC name of (2R,3S,5R)-2,3,4-tris(dec-9-enoxy)-5-ethyloxolane (CID 167619322) is (2R,3S,5R)-2,3,4-tris(dec-9-enoxy)-5-ethyloxolane.
What is the SMILES notation for (2R,3S,5R)-2,3,4-tris(dec-9-enoxy)-5-ethyloxolane?
The canonical SMILES for (2R,3S,5R)-2,3,4-tris(dec-9-enoxy)-5-ethyloxolane is C=CCCCCCCCCOC1[C@@H](CC)O[C@@H](OCCCCCCCCC=C)[C@H]1OCCCCCCCCC=C.
What is the InChIKey of (2R,3S,5R)-2,3,4-tris(dec-9-enoxy)-5-ethyloxolane?
The InChIKey is MFAQDZQDLJPHEV-ABUCHCICSA-N. The full InChI is InChI=1S/C36H66O4/c1-5-9-12-15-18-21-24-27-30-37-34-33(8-4)40-36(39-32-29-26-23-20-17-14-11-7-3)35(34)38-31-28-25-22-19-16-13-10-6-2/h5-7,33-36H,1-3,8-32H2,4H3/t33-,34?,35+,36-/m1/s1.
What are the key properties of (2R,3S,5R)-2,3,4-tris(dec-9-enoxy)-5-ethyloxolane?
(2R,3S,5R)-2,3,4-tris(dec-9-enoxy)-5-ethyloxolane has a molecular weight of 562.92 g/mol, XLogP of 10.66, 31 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-2,3,4-tris(dec-9-enoxy)-5-ethyloxolane is sourced from PubChem (CID 167619322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).