methyl 2-[(2S,4S,6S)-4,6-dimethoxyoxan-2-yl]acetate

C10H18O5 — CID 10987731

IUPACmethyl 2-[(2S,4S,6S)-4,6-dimethoxyoxan-2-yl]acetate
SMILESCOC(=O)C[C@@H]1C[C@H](OC)C[C@@H](OC)O1
InChIInChI=1S/C10H18O5/c1-12-7-4-8(5-9(11)13-2)15-10(6-7)14-3/h7-8,10H,4-6H2,1-3H3/t7-,8-,10-/m0/s1
InChIKeyRNYMKHLSXLOWTQ-NRPADANISA-N
MW218.25 g/mol
LogP0.72
Rot. Bonds4

About methyl 2-[(2S,4S,6S)-4,6-dimethoxyoxan-2-yl]acetate

methyl 2-[(2S,4S,6S)-4,6-dimethoxyoxan-2-yl]acetate (PubChem CID 10987731) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is methyl 2-[(2S,4S,6S)-4,6-dimethoxyoxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,4S,6S)-4,6-dimethoxyoxan-2-yl]acetate
PubChem CID10987731
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Namemethyl 2-[(2S,4S,6S)-4,6-dimethoxyoxan-2-yl]acetate
SMILESCOC(=O)C[C@@H]1C[C@H](OC)C[C@@H](OC)O1
InChIInChI=1S/C10H18O5/c1-12-7-4-8(5-9(11)13-2)15-10(6-7)14-3/h7-8,10H,4-6H2,1-3H3/t7-,8-,10-/m0/s1
InChIKeyRNYMKHLSXLOWTQ-NRPADANISA-N
XLogP0.72
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 10931919
methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 11105849
methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate
CID 67990824
[2-methoxy-6-(methoxymethyl)oxan-4-yl] acetate
CID 129275610
methyl 2-[(2R,4S,5R)-5-ethyl-4-iodooxolan-2-yl]acetate
CID 10870235
[(2S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxan-4-yl] hypoiodite
CID 142600724
methyl 2-(2,5-dimethoxyoxolan-3-yl)sulfanylacetate
CID 91695968
ethane;methyl 2-[4-(dimethylamino)-6-methyloxan-2-yl]acetate
CID 143247703
methyl 2-[(2S,3aR,4R,7aR)-4-amino-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl]acetate
CID 124709450
methyl 2-(1,3-dioxan-2-yl)acetate
CID 59252297
methyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate
CID 91609014
methyl 2-(2,2,6-trimethyl-1,3-dioxan-4-yl)acetate
CID 85404971

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,4S,6S)-4,6-dimethoxyoxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2S,4S,6S)-4,6-dimethoxyoxan-2-yl]acetate (CID 10987731) is methyl 2-[(2S,4S,6S)-4,6-dimethoxyoxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,4S,6S)-4,6-dimethoxyoxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S,4S,6S)-4,6-dimethoxyoxan-2-yl]acetate is COC(=O)C[C@@H]1C[C@H](OC)C[C@@H](OC)O1.
What is the InChIKey of methyl 2-[(2S,4S,6S)-4,6-dimethoxyoxan-2-yl]acetate?
The InChIKey is RNYMKHLSXLOWTQ-NRPADANISA-N. The full InChI is InChI=1S/C10H18O5/c1-12-7-4-8(5-9(11)13-2)15-10(6-7)14-3/h7-8,10H,4-6H2,1-3H3/t7-,8-,10-/m0/s1.
What are the key properties of methyl 2-[(2S,4S,6S)-4,6-dimethoxyoxan-2-yl]acetate?
methyl 2-[(2S,4S,6S)-4,6-dimethoxyoxan-2-yl]acetate has a molecular weight of 218.25 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,4S,6S)-4,6-dimethoxyoxan-2-yl]acetate is sourced from PubChem (CID 10987731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).