[(2S,4S)-2-(methoxymethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran-4-yl] acetate

C11H18O5 — CID 101234062

IUPAC[(2S,4S)-2-(methoxymethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
SMILESCOCOC[C@@H]1C[C@H](OC(C)=O)C(C)=CO1
InChIInChI=1S/C11H18O5/c1-8-5-15-10(6-14-7-13-3)4-11(8)16-9(2)12/h5,10-11H,4,6-7H2,1-3H3/t10-,11-/m0/s1
InChIKeySXQMNICUSXTXFN-QWRGUYRKSA-N
MW230.26 g/mol
LogP1.23
Rot. Bonds5

About [(2S,4S)-2-(methoxymethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran-4-yl] acetate

[(2S,4S)-2-(methoxymethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran-4-yl] acetate (PubChem CID 101234062) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is [(2S,4S)-2-(methoxymethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran-4-yl] acetate.

Molecular Properties

Compound Name[(2S,4S)-2-(methoxymethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
PubChem CID101234062
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name[(2S,4S)-2-(methoxymethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
SMILESCOCOC[C@@H]1C[C@H](OC(C)=O)C(C)=CO1
InChIInChI=1S/C11H18O5/c1-8-5-15-10(6-14-7-13-3)4-11(8)16-9(2)12/h5,10-11H,4,6-7H2,1-3H3/t10-,11-/m0/s1
InChIKeySXQMNICUSXTXFN-QWRGUYRKSA-N
XLogP1.23
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-Methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-1-en-3-yl] acetate
CID 13481363
[5-(1,3-Dioxan-2-yl)-2-methylpent-1-en-3-yl] acetate
CID 14173484
[1-(1,3-Dioxan-2-yl)-4-methylidenehexan-3-yl] acetate
CID 14173485
[(2R,3S)-2-(methoxymethoxymethyl)-4-methyl-2,3-dihydrofuran-3-yl] butanoate
CID 134895801
2-(6-Methylhept-6-enoxymethoxy)prop-2-enyl acetate
CID 20770073
[10-(3-Acetyloxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-yl] acetate
CID 23524665
[(3R,5R)-2-acetyloxy-5-ethyl-4-methylideneoxolan-3-yl] acetate
CID 69949936
(4-methoxy-2-propoxy-3,4-dihydro-2H-pyran-5-yl) acetate
CID 70879961
[(4R,6R)-2,3-diacetyloxy-6-prop-1-en-2-yloxan-4-yl] acetate
CID 132120385
[(2S,4S)-5-methylidene-4-propanoyloxyoxan-2-yl]methyl propanoate
CID 153373190
[(2R,3S,4R)-3-acetyloxy-4-(methoxymethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 10084705
[(2R,3S,4R)-4-acetyloxy-3-(methoxymethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 10378626

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-(methoxymethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran-4-yl] acetate?
The IUPAC name of [(2S,4S)-2-(methoxymethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran-4-yl] acetate (CID 101234062) is [(2S,4S)-2-(methoxymethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran-4-yl] acetate.
What is the SMILES notation for [(2S,4S)-2-(methoxymethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran-4-yl] acetate?
The canonical SMILES for [(2S,4S)-2-(methoxymethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran-4-yl] acetate is COCOC[C@@H]1C[C@H](OC(C)=O)C(C)=CO1.
What is the InChIKey of [(2S,4S)-2-(methoxymethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran-4-yl] acetate?
The InChIKey is SXQMNICUSXTXFN-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H18O5/c1-8-5-15-10(6-14-7-13-3)4-11(8)16-9(2)12/h5,10-11H,4,6-7H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of [(2S,4S)-2-(methoxymethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran-4-yl] acetate?
[(2S,4S)-2-(methoxymethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran-4-yl] acetate has a molecular weight of 230.26 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-(methoxymethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran-4-yl] acetate is sourced from PubChem (CID 101234062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).