(2S,4S,5S)-2-methoxy-3,4,5-trimethyl-6-[[(2S,5R)-4,5,6-trimethyloxan-2-yl]oxymethyl]oxane

C18H34O4 — CID 126608883

IUPAC(2S,4S,5S)-2-methoxy-3,4,5-trimethyl-6-[[(2S,5R)-4,5,6-trimethyloxan-2-yl]oxymethyl]oxane
SMILESCO[C@H]1OC(CO[C@@H]2CC(C)[C@@H](C)C(C)O2)[C@@H](C)[C@H](C)C1C
InChIInChI=1S/C18H34O4/c1-10-8-17(21-15(6)11(10)2)20-9-16-13(4)12(3)14(5)18(19-7)22-16/h10-18H,8-9H2,1-7H3/t10?,11-,12+,13+,14?,15?,16?,17+,18+/m1/s1
InChIKeyDNBUGBYHGRRPRU-LHDLIDGGSA-N
MW314.47 g/mol
LogP3.69
Rot. Bonds4

About (2S,4S,5S)-2-methoxy-3,4,5-trimethyl-6-[[(2S,5R)-4,5,6-trimethyloxan-2-yl]oxymethyl]oxane

(2S,4S,5S)-2-methoxy-3,4,5-trimethyl-6-[[(2S,5R)-4,5,6-trimethyloxan-2-yl]oxymethyl]oxane (PubChem CID 126608883) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is (2S,4S,5S)-2-methoxy-3,4,5-trimethyl-6-[[(2S,5R)-4,5,6-trimethyloxan-2-yl]oxymethyl]oxane.

Molecular Properties

Compound Name(2S,4S,5S)-2-methoxy-3,4,5-trimethyl-6-[[(2S,5R)-4,5,6-trimethyloxan-2-yl]oxymethyl]oxane
PubChem CID126608883
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Name(2S,4S,5S)-2-methoxy-3,4,5-trimethyl-6-[[(2S,5R)-4,5,6-trimethyloxan-2-yl]oxymethyl]oxane
SMILESCO[C@H]1OC(CO[C@@H]2CC(C)[C@@H](C)C(C)O2)[C@@H](C)[C@H](C)C1C
InChIInChI=1S/C18H34O4/c1-10-8-17(21-15(6)11(10)2)20-9-16-13(4)12(3)14(5)18(19-7)22-16/h10-18H,8-9H2,1-7H3/t10?,11-,12+,13+,14?,15?,16?,17+,18+/m1/s1
InChIKeyDNBUGBYHGRRPRU-LHDLIDGGSA-N
XLogP3.69
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R,6R)-6-ethoxy-2,3,4-trimethyloxane
CID 58651620
(3R,4S,6R)-2-(fluoromethyl)-6-methoxy-3,4,5-trimethyloxane
CID 58241382
(3S,4R,6S)-2-ethyl-3-[(2R,4R,5S)-6-[[(4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-5-methoxy-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxane
CID 71047600
(2R,4S,5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-methyloxane
CID 176646378
(3R,4S,6R)-6-ethyl-2-methoxy-3,4-dimethyloxane
CID 90394865
2-(methoxymethyl)-3,4,5-trimethyloxolane
CID 21349670
(2S,3S,4R,5R)-2-[[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methoxy-3-methyloxan-2-yl]methoxy]oxane-3,4,5-triol
CID 167060038
[(3S,4R,6S)-3-[(2S,5R,6S)-5-[(2R,5S,6S)-6-(acetyloxymethyl)-3,4-dimethyl-5-[(2S,4S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-3,6-dimethyloxan-2-yl]oxy-6-methoxy-4,5-dimethyloxan-2-yl]methyl acetate;bis(carbon dioxide)
CID 123198831
2,3-dimethoxy-6-(methoxymethyl)-5-methyloxan-4-ol
CID 76704011
4-methoxy-2-[[4-methoxy-3,6-dimethyl-5-(methylamino)oxan-2-yl]methoxy]-6-(methoxymethyl)-N,5-dimethyloxan-3-amine
CID 59956194
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
(2R)-3-ethyl-2-methoxy-6-(methoxymethyl)-5-methyloxane
CID 163476629

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-2-methoxy-3,4,5-trimethyl-6-[[(2S,5R)-4,5,6-trimethyloxan-2-yl]oxymethyl]oxane?
The IUPAC name of (2S,4S,5S)-2-methoxy-3,4,5-trimethyl-6-[[(2S,5R)-4,5,6-trimethyloxan-2-yl]oxymethyl]oxane (CID 126608883) is (2S,4S,5S)-2-methoxy-3,4,5-trimethyl-6-[[(2S,5R)-4,5,6-trimethyloxan-2-yl]oxymethyl]oxane.
What is the SMILES notation for (2S,4S,5S)-2-methoxy-3,4,5-trimethyl-6-[[(2S,5R)-4,5,6-trimethyloxan-2-yl]oxymethyl]oxane?
The canonical SMILES for (2S,4S,5S)-2-methoxy-3,4,5-trimethyl-6-[[(2S,5R)-4,5,6-trimethyloxan-2-yl]oxymethyl]oxane is CO[C@H]1OC(CO[C@@H]2CC(C)[C@@H](C)C(C)O2)[C@@H](C)[C@H](C)C1C.
What is the InChIKey of (2S,4S,5S)-2-methoxy-3,4,5-trimethyl-6-[[(2S,5R)-4,5,6-trimethyloxan-2-yl]oxymethyl]oxane?
The InChIKey is DNBUGBYHGRRPRU-LHDLIDGGSA-N. The full InChI is InChI=1S/C18H34O4/c1-10-8-17(21-15(6)11(10)2)20-9-16-13(4)12(3)14(5)18(19-7)22-16/h10-18H,8-9H2,1-7H3/t10?,11-,12+,13+,14?,15?,16?,17+,18+/m1/s1.
What are the key properties of (2S,4S,5S)-2-methoxy-3,4,5-trimethyl-6-[[(2S,5R)-4,5,6-trimethyloxan-2-yl]oxymethyl]oxane?
(2S,4S,5S)-2-methoxy-3,4,5-trimethyl-6-[[(2S,5R)-4,5,6-trimethyloxan-2-yl]oxymethyl]oxane has a molecular weight of 314.47 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-2-methoxy-3,4,5-trimethyl-6-[[(2S,5R)-4,5,6-trimethyloxan-2-yl]oxymethyl]oxane is sourced from PubChem (CID 126608883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).