(2S,3R,5S,6S)-2,3,5,6-tetraethoxy-4-methyloxane

C14H28O5 — CID 162134537

IUPAC(2S,3R,5S,6S)-2,3,5,6-tetraethoxy-4-methyloxane
SMILESCCO[C@H]1O[C@H](OCC)[C@@H](OCC)C(C)[C@H]1OCC
InChIInChI=1S/C14H28O5/c1-6-15-11-10(5)12(16-7-2)14(18-9-4)19-13(11)17-8-3/h10-14H,6-9H2,1-5H3/t10?,11-,12+,13-,14-/m0/s1
InChIKeyYBECDLDGGCWBGE-GTGGMXTKSA-N
MW276.37 g/mol
LogP2.19
Rot. Bonds8

About (2S,3R,5S,6S)-2,3,5,6-tetraethoxy-4-methyloxane

(2S,3R,5S,6S)-2,3,5,6-tetraethoxy-4-methyloxane (PubChem CID 162134537) has the molecular formula C14H28O5 and a molecular weight of 276.37 g/mol. Its IUPAC name is (2S,3R,5S,6S)-2,3,5,6-tetraethoxy-4-methyloxane.

Molecular Properties

Compound Name(2S,3R,5S,6S)-2,3,5,6-tetraethoxy-4-methyloxane
PubChem CID162134537
Molecular FormulaC14H28O5
Molecular Weight276.37 g/mol
Exact Mass276.19
IUPAC Name(2S,3R,5S,6S)-2,3,5,6-tetraethoxy-4-methyloxane
SMILESCCO[C@H]1O[C@H](OCC)[C@@H](OCC)C(C)[C@H]1OCC
InChIInChI=1S/C14H28O5/c1-6-15-11-10(5)12(16-7-2)14(18-9-4)19-13(11)17-8-3/h10-14H,6-9H2,1-5H3/t10?,11-,12+,13-,14-/m0/s1
InChIKeyYBECDLDGGCWBGE-GTGGMXTKSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2,3-diethoxyoxirane
CID 10701862
3,4-diethoxydioxetane
CID 59986645
6-ethoxy-2,5-dimethyloxane-3,4-diol
CID 159419325
(2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane
CID 163737733
(2S,3S,4S,5S,6S)-3-ethoxy-4,5-dimethoxy-2,6-dimethyloxane
CID 58620285
(2R,3R,4R,5S,6S)-4-ethoxy-2-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,5-dimethoxy-6-methyloxane
CID 142763970
3-ethoxy-N-methyloxiran-2-amine
CID 154561397
(3R,4R,6R)-6-ethoxy-2,3,4-trimethyloxane
CID 58651620
(6R,8R,8aS)-6-ethoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 176586129
2-(4,5-diethoxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol
CID 86153336
2-ethoxy-3-[(3-methylthiiran-2-yl)methyl]oxirane
CID 123854628
(3R,4R,5S,6R)-2,4,5-triethoxy-6-(methoxymethyl)oxan-3-amine
CID 24804010

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S,6S)-2,3,5,6-tetraethoxy-4-methyloxane?
The IUPAC name of (2S,3R,5S,6S)-2,3,5,6-tetraethoxy-4-methyloxane (CID 162134537) is (2S,3R,5S,6S)-2,3,5,6-tetraethoxy-4-methyloxane.
What is the SMILES notation for (2S,3R,5S,6S)-2,3,5,6-tetraethoxy-4-methyloxane?
The canonical SMILES for (2S,3R,5S,6S)-2,3,5,6-tetraethoxy-4-methyloxane is CCO[C@H]1O[C@H](OCC)[C@@H](OCC)C(C)[C@H]1OCC.
What is the InChIKey of (2S,3R,5S,6S)-2,3,5,6-tetraethoxy-4-methyloxane?
The InChIKey is YBECDLDGGCWBGE-GTGGMXTKSA-N. The full InChI is InChI=1S/C14H28O5/c1-6-15-11-10(5)12(16-7-2)14(18-9-4)19-13(11)17-8-3/h10-14H,6-9H2,1-5H3/t10?,11-,12+,13-,14-/m0/s1.
What are the key properties of (2S,3R,5S,6S)-2,3,5,6-tetraethoxy-4-methyloxane?
(2S,3R,5S,6S)-2,3,5,6-tetraethoxy-4-methyloxane has a molecular weight of 276.37 g/mol, XLogP of 2.19, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S,6S)-2,3,5,6-tetraethoxy-4-methyloxane is sourced from PubChem (CID 162134537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).