(3S,4R,6S)-2-ethyl-6-[(3S,4R)-2-ethyl-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol

C18H34O4 — CID 70820079

IUPAC(3S,4R,6S)-2-ethyl-6-[(3S,4R)-2-ethyl-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol
SMILESCCC1O[C@@H](O[C@@H]2C(CC)OCC(C)[C@H]2C)C(C)[C@@H](C)[C@@H]1O
InChIInChI=1S/C18H34O4/c1-7-14-16(19)12(5)13(6)18(21-14)22-17-11(4)10(3)9-20-15(17)8-2/h10-19H,7-9H2,1-6H3/t10?,11-,12-,13?,14?,15?,16+,17+,18+/m1/s1
InChIKeySWMLCKOWHNJFFF-IFEMLLTHSA-N
MW314.47 g/mol
LogP3.22
Rot. Bonds4

About (3S,4R,6S)-2-ethyl-6-[(3S,4R)-2-ethyl-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol

(3S,4R,6S)-2-ethyl-6-[(3S,4R)-2-ethyl-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol (PubChem CID 70820079) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is (3S,4R,6S)-2-ethyl-6-[(3S,4R)-2-ethyl-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol.

Molecular Properties

Compound Name(3S,4R,6S)-2-ethyl-6-[(3S,4R)-2-ethyl-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol
PubChem CID70820079
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Name(3S,4R,6S)-2-ethyl-6-[(3S,4R)-2-ethyl-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol
SMILESCCC1O[C@@H](O[C@@H]2C(CC)OCC(C)[C@H]2C)C(C)[C@@H](C)[C@@H]1O
InChIInChI=1S/C18H34O4/c1-7-14-16(19)12(5)13(6)18(21-14)22-17-11(4)10(3)9-20-15(17)8-2/h10-19H,7-9H2,1-6H3/t10?,11-,12-,13?,14?,15?,16+,17+,18+/m1/s1
InChIKeySWMLCKOWHNJFFF-IFEMLLTHSA-N
XLogP3.22
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4R,6S)-2-ethyl-6-[(3S,4R)-2-ethyl-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

(2R,3S,6R)-2-ethyl-6-[(2R,3S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol
CID 59044769
3-(6-ethyl-5-hydroxy-3,4-dimethyloxan-2-yl)oxy-4,6-dimethylcyclohexane-1,2-diol
CID 59612294
(3S,4S,6S)-6-[(3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-ol
CID 91414509
(2R,3S,4S,5R,6S)-2-ethyl-6-[(2S,3R,4S,5R)-4-hydroxy-2-[(2S,3R,4S,5R)-4-hydroxy-2,5-dimethyloxan-3-yl]oxy-5-methyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol
CID 90246506
actinium;(2R,3S,6R)-2-ethyl-6-[(2R,3S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[(3R,4R,6S)-6-[(2R,3S,6S)-6-[(2S,3S,6R)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol
CID 59044812
(2R,4S,5R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyoxane-2,3,5-triol
CID 126492470
(2R,3S,4S,5R,6R)-2-ethyl-4,5,6-trimethyloxan-3-ol
CID 163662834
2-(2,6-diethyl-3,5-dihydroxyoxan-4-yl)oxy-6-ethyloxane-3,4,5-triol
CID 21339731
2-ethyl-3-[6-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxane
CID 22974905
(2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane
CID 90909875
actinium;(2S,5S,6S)-2-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-6-(hydroxymethyl)-4-methyloxane-3,5-diol
CID 59042947
actinium;(3S,4R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4R,6R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;bis((2R,4R,5S)-2-[(3S,4R,6R)-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-[methyl(phosphanyl)boranyl]oxyoxane-3,4-diol)
CID 160960813

Frequently Asked Questions

What is the IUPAC name of (3S,4R,6S)-2-ethyl-6-[(3S,4R)-2-ethyl-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol?
The IUPAC name of (3S,4R,6S)-2-ethyl-6-[(3S,4R)-2-ethyl-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol (CID 70820079) is (3S,4R,6S)-2-ethyl-6-[(3S,4R)-2-ethyl-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol.
What is the SMILES notation for (3S,4R,6S)-2-ethyl-6-[(3S,4R)-2-ethyl-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol?
The canonical SMILES for (3S,4R,6S)-2-ethyl-6-[(3S,4R)-2-ethyl-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol is CCC1O[C@@H](O[C@@H]2C(CC)OCC(C)[C@H]2C)C(C)[C@@H](C)[C@@H]1O.
What is the InChIKey of (3S,4R,6S)-2-ethyl-6-[(3S,4R)-2-ethyl-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol?
The InChIKey is SWMLCKOWHNJFFF-IFEMLLTHSA-N. The full InChI is InChI=1S/C18H34O4/c1-7-14-16(19)12(5)13(6)18(21-14)22-17-11(4)10(3)9-20-15(17)8-2/h10-19H,7-9H2,1-6H3/t10?,11-,12-,13?,14?,15?,16+,17+,18+/m1/s1.
What are the key properties of (3S,4R,6S)-2-ethyl-6-[(3S,4R)-2-ethyl-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol?
(3S,4R,6S)-2-ethyl-6-[(3S,4R)-2-ethyl-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol has a molecular weight of 314.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,6S)-2-ethyl-6-[(3S,4R)-2-ethyl-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol is sourced from PubChem (CID 70820079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).