(6-methoxy-2,4-dimethyloxan-3-yl) acetate

C10H18O4 — CID 20577444

IUPAC(6-methoxy-2,4-dimethyloxan-3-yl) acetate
SMILESCOC1CC(C)C(OC(C)=O)C(C)O1
InChIInChI=1S/C10H18O4/c1-6-5-9(12-4)13-7(2)10(6)14-8(3)11/h6-7,9-10H,5H2,1-4H3
InChIKeyDIMVVWVOVNQHIG-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.34
Rot. Bonds2

About (6-methoxy-2,4-dimethyloxan-3-yl) acetate

(6-methoxy-2,4-dimethyloxan-3-yl) acetate (PubChem CID 20577444) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (6-methoxy-2,4-dimethyloxan-3-yl) acetate.

Molecular Properties

Compound Name(6-methoxy-2,4-dimethyloxan-3-yl) acetate
PubChem CID20577444
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(6-methoxy-2,4-dimethyloxan-3-yl) acetate
SMILESCOC1CC(C)C(OC(C)=O)C(C)O1
InChIInChI=1S/C10H18O4/c1-6-5-9(12-4)13-7(2)10(6)14-8(3)11/h6-7,9-10H,5H2,1-4H3
InChIKeyDIMVVWVOVNQHIG-UHFFFAOYSA-N
XLogP1.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2,4-dimethyloxan-3-ol
CID 58831559
[4-[4-hydroxy-5-[4-hydroxy-5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methoxy-2-methyloxan-3-yl] acetate
CID 20577435
[4-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methoxy-2-methyloxan-3-yl] acetate
CID 20577436
[(3R,5R,6R)-5,6-diacetyloxy-4-methoxy-2-methyloxan-3-yl] acetate
CID 45050652
[(2R,3S,4S,5R,6S)-5-acetyloxy-2-methoxy-3,6-dimethyloxan-4-yl] acetate
CID 158380214
[(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate
CID 22214876
[(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
[(2R,3R,4R,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
CID 34174531
[(1S,2R,3R,4R,5R)-2,3,4-triacetyloxy-5-methylcyclohexyl] acetate
CID 170294536
[(2R,3S,4S,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
CID 70178929
[2-methoxy-6-(methoxymethyl)oxan-4-yl] acetate
CID 129275610

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-2,4-dimethyloxan-3-yl) acetate?
The IUPAC name of (6-methoxy-2,4-dimethyloxan-3-yl) acetate (CID 20577444) is (6-methoxy-2,4-dimethyloxan-3-yl) acetate.
What is the SMILES notation for (6-methoxy-2,4-dimethyloxan-3-yl) acetate?
The canonical SMILES for (6-methoxy-2,4-dimethyloxan-3-yl) acetate is COC1CC(C)C(OC(C)=O)C(C)O1.
What is the InChIKey of (6-methoxy-2,4-dimethyloxan-3-yl) acetate?
The InChIKey is DIMVVWVOVNQHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-6-5-9(12-4)13-7(2)10(6)14-8(3)11/h6-7,9-10H,5H2,1-4H3.
What are the key properties of (6-methoxy-2,4-dimethyloxan-3-yl) acetate?
(6-methoxy-2,4-dimethyloxan-3-yl) acetate has a molecular weight of 202.25 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-2,4-dimethyloxan-3-yl) acetate is sourced from PubChem (CID 20577444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).