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

C16H32O5 — CID 59037769

IUPAC(2R,4R,5R)-4-ethoxy-5-ethyl-2-methoxy-6-(methoxymethyl)-3-methyl-3-propoxyoxane
SMILESCCCOC1(C)[C@H](OC)OC(COC)[C@@H](CC)[C@H]1OCC
InChIInChI=1S/C16H32O5/c1-7-10-20-16(4)14(19-9-3)12(8-2)13(11-17-5)21-15(16)18-6/h12-15H,7-11H2,1-6H3/t12-,13?,14-,15-,16?/m1/s1
InChIKeyIVSKYXILKAFQKA-MSIBERQWSA-N
MW304.43 g/mol
LogP2.62
Rot. Bonds9

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

(2R,4R,5R)-4-ethoxy-5-ethyl-2-methoxy-6-(methoxymethyl)-3-methyl-3-propoxyoxane (PubChem CID 59037769) has the molecular formula C16H32O5 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2R,4R,5R)-4-ethoxy-5-ethyl-2-methoxy-6-(methoxymethyl)-3-methyl-3-propoxyoxane.

Molecular Properties

Compound Name(2R,4R,5R)-4-ethoxy-5-ethyl-2-methoxy-6-(methoxymethyl)-3-methyl-3-propoxyoxane
PubChem CID59037769
Molecular FormulaC16H32O5
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(2R,4R,5R)-4-ethoxy-5-ethyl-2-methoxy-6-(methoxymethyl)-3-methyl-3-propoxyoxane
SMILESCCCOC1(C)[C@H](OC)OC(COC)[C@@H](CC)[C@H]1OCC
InChIInChI=1S/C16H32O5/c1-7-10-20-16(4)14(19-9-3)12(8-2)13(11-17-5)21-15(16)18-6/h12-15H,7-11H2,1-6H3/t12-,13?,14-,15-,16?/m1/s1
InChIKeyIVSKYXILKAFQKA-MSIBERQWSA-N
XLogP2.62
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-4-ethoxy-5-ethyl-2-methoxy-6-(methoxymethyl)-3-methyl-3-propoxyoxane?
The IUPAC name of (2R,4R,5R)-4-ethoxy-5-ethyl-2-methoxy-6-(methoxymethyl)-3-methyl-3-propoxyoxane (CID 59037769) is (2R,4R,5R)-4-ethoxy-5-ethyl-2-methoxy-6-(methoxymethyl)-3-methyl-3-propoxyoxane.
What is the SMILES notation for (2R,4R,5R)-4-ethoxy-5-ethyl-2-methoxy-6-(methoxymethyl)-3-methyl-3-propoxyoxane?
The canonical SMILES for (2R,4R,5R)-4-ethoxy-5-ethyl-2-methoxy-6-(methoxymethyl)-3-methyl-3-propoxyoxane is CCCOC1(C)[C@H](OC)OC(COC)[C@@H](CC)[C@H]1OCC.
What is the InChIKey of (2R,4R,5R)-4-ethoxy-5-ethyl-2-methoxy-6-(methoxymethyl)-3-methyl-3-propoxyoxane?
The InChIKey is IVSKYXILKAFQKA-MSIBERQWSA-N. The full InChI is InChI=1S/C16H32O5/c1-7-10-20-16(4)14(19-9-3)12(8-2)13(11-17-5)21-15(16)18-6/h12-15H,7-11H2,1-6H3/t12-,13?,14-,15-,16?/m1/s1.
What are the key properties of (2R,4R,5R)-4-ethoxy-5-ethyl-2-methoxy-6-(methoxymethyl)-3-methyl-3-propoxyoxane?
(2R,4R,5R)-4-ethoxy-5-ethyl-2-methoxy-6-(methoxymethyl)-3-methyl-3-propoxyoxane has a molecular weight of 304.43 g/mol, XLogP of 2.62, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-4-ethoxy-5-ethyl-2-methoxy-6-(methoxymethyl)-3-methyl-3-propoxyoxane is sourced from PubChem (CID 59037769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).