(5,6-dimethoxy-2-methyloxan-3-yl) acetate

C10H18O5 — CID 560332

IUPAC(5,6-dimethoxy-2-methyloxan-3-yl) acetate
SMILESCOC1CC(OC(C)=O)C(C)OC1OC
InChIInChI=1S/C10H18O5/c1-6-8(15-7(2)11)5-9(12-3)10(13-4)14-6/h6,8-10H,5H2,1-4H3
InChIKeyYHUFJMKTFPZCTP-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.71
Rot. Bonds3

About (5,6-dimethoxy-2-methyloxan-3-yl) acetate

(5,6-dimethoxy-2-methyloxan-3-yl) acetate (PubChem CID 560332) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is (5,6-dimethoxy-2-methyloxan-3-yl) acetate.

Molecular Properties

Compound Name(5,6-dimethoxy-2-methyloxan-3-yl) acetate
PubChem CID560332
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(5,6-dimethoxy-2-methyloxan-3-yl) acetate
SMILESCOC1CC(OC(C)=O)C(C)OC1OC
InChIInChI=1S/C10H18O5/c1-6-8(15-7(2)11)5-9(12-3)10(13-4)14-6/h6,8-10H,5H2,1-4H3
InChIKeyYHUFJMKTFPZCTP-UHFFFAOYSA-N
XLogP0.71
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-acetyloxy-6-methoxy-2-methyloxan-3-yl) acetate
CID 538720
(2R,3R,5R,6S)-2,3,5-trimethoxy-6-methyloxane
CID 88978646
[(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate
CID 22214876
[(2R,3S,4S,5R,6S)-5-acetyloxy-2-methoxy-3,6-dimethyloxan-4-yl] acetate
CID 158380214
[(3S,4R,5S,6S)-4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl] acetate
CID 21307891
[(2S,3S,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-methoxy-2-methyloxan-3-yl] acetate
CID 15043215
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
[(3R,5R,6R)-5,6-diacetyloxy-4-methoxy-2-methyloxan-3-yl] acetate
CID 45050652
[(3S,5R,6R)-3,5-diacetyloxy-2,6-dimethoxyoxan-4-yl] acetate
CID 134937092
(2-methoxycyclobutyl) acetate
CID 68941344
[(2R,3S,4S,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
CID 70178929
[(2R,3R,4R,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
CID 34174531

Frequently Asked Questions

What is the IUPAC name of (5,6-dimethoxy-2-methyloxan-3-yl) acetate?
The IUPAC name of (5,6-dimethoxy-2-methyloxan-3-yl) acetate (CID 560332) is (5,6-dimethoxy-2-methyloxan-3-yl) acetate.
What is the SMILES notation for (5,6-dimethoxy-2-methyloxan-3-yl) acetate?
The canonical SMILES for (5,6-dimethoxy-2-methyloxan-3-yl) acetate is COC1CC(OC(C)=O)C(C)OC1OC.
What is the InChIKey of (5,6-dimethoxy-2-methyloxan-3-yl) acetate?
The InChIKey is YHUFJMKTFPZCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-6-8(15-7(2)11)5-9(12-3)10(13-4)14-6/h6,8-10H,5H2,1-4H3.
What are the key properties of (5,6-dimethoxy-2-methyloxan-3-yl) acetate?
(5,6-dimethoxy-2-methyloxan-3-yl) acetate has a molecular weight of 218.25 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethoxy-2-methyloxan-3-yl) acetate is sourced from PubChem (CID 560332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).