(2R,5R)-3-ethoxy-2-methoxy-6-(methoxymethyl)-5-methyl-4-propoxyoxane

C14H28O5 — CID 59094427

IUPAC(2R,5R)-3-ethoxy-2-methoxy-6-(methoxymethyl)-5-methyl-4-propoxyoxane
SMILESCCCOC1C(OCC)[C@H](OC)OC(COC)[C@H]1C
InChIInChI=1S/C14H28O5/c1-6-8-18-12-10(3)11(9-15-4)19-14(16-5)13(12)17-7-2/h10-14H,6-9H2,1-5H3/t10-,11?,12?,13?,14-/m1/s1
InChIKeyUHEJYTBSFQKSBV-MGBGULCISA-N
MW276.37 g/mol
LogP1.84
Rot. Bonds8

About (2R,5R)-3-ethoxy-2-methoxy-6-(methoxymethyl)-5-methyl-4-propoxyoxane

(2R,5R)-3-ethoxy-2-methoxy-6-(methoxymethyl)-5-methyl-4-propoxyoxane (PubChem CID 59094427) has the molecular formula C14H28O5 and a molecular weight of 276.37 g/mol. Its IUPAC name is (2R,5R)-3-ethoxy-2-methoxy-6-(methoxymethyl)-5-methyl-4-propoxyoxane.

Molecular Properties

Compound Name(2R,5R)-3-ethoxy-2-methoxy-6-(methoxymethyl)-5-methyl-4-propoxyoxane
PubChem CID59094427
Molecular FormulaC14H28O5
Molecular Weight276.37 g/mol
Exact Mass276.19
IUPAC Name(2R,5R)-3-ethoxy-2-methoxy-6-(methoxymethyl)-5-methyl-4-propoxyoxane
SMILESCCCOC1C(OCC)[C@H](OC)OC(COC)[C@H]1C
InChIInChI=1S/C14H28O5/c1-6-8-18-12-10(3)11(9-15-4)19-14(16-5)13(12)17-7-2/h10-14H,6-9H2,1-5H3/t10-,11?,12?,13?,14-/m1/s1
InChIKeyUHEJYTBSFQKSBV-MGBGULCISA-N
XLogP1.84
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-3-ethoxy-2-methoxy-6-(methoxymethyl)-5-methyl-4-propoxyoxane?
The IUPAC name of (2R,5R)-3-ethoxy-2-methoxy-6-(methoxymethyl)-5-methyl-4-propoxyoxane (CID 59094427) is (2R,5R)-3-ethoxy-2-methoxy-6-(methoxymethyl)-5-methyl-4-propoxyoxane.
What is the SMILES notation for (2R,5R)-3-ethoxy-2-methoxy-6-(methoxymethyl)-5-methyl-4-propoxyoxane?
The canonical SMILES for (2R,5R)-3-ethoxy-2-methoxy-6-(methoxymethyl)-5-methyl-4-propoxyoxane is CCCOC1C(OCC)[C@H](OC)OC(COC)[C@H]1C.
What is the InChIKey of (2R,5R)-3-ethoxy-2-methoxy-6-(methoxymethyl)-5-methyl-4-propoxyoxane?
The InChIKey is UHEJYTBSFQKSBV-MGBGULCISA-N. The full InChI is InChI=1S/C14H28O5/c1-6-8-18-12-10(3)11(9-15-4)19-14(16-5)13(12)17-7-2/h10-14H,6-9H2,1-5H3/t10-,11?,12?,13?,14-/m1/s1.
What are the key properties of (2R,5R)-3-ethoxy-2-methoxy-6-(methoxymethyl)-5-methyl-4-propoxyoxane?
(2R,5R)-3-ethoxy-2-methoxy-6-(methoxymethyl)-5-methyl-4-propoxyoxane has a molecular weight of 276.37 g/mol, XLogP of 1.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-3-ethoxy-2-methoxy-6-(methoxymethyl)-5-methyl-4-propoxyoxane is sourced from PubChem (CID 59094427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).