3-ethenoxy-4-methoxy-2-(methoxymethyl)-5-methyloxolane

C10H18O4 — CID 139492004

IUPAC3-ethenoxy-4-methoxy-2-(methoxymethyl)-5-methyloxolane
SMILESC=COC1C(COC)OC(C)C1OC
InChIInChI=1S/C10H18O4/c1-5-13-10-8(6-11-3)14-7(2)9(10)12-4/h5,7-10H,1,6H2,2-4H3
InChIKeyGFIRYSPMVVDQKM-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.96
Rot. Bonds5

About 3-ethenoxy-4-methoxy-2-(methoxymethyl)-5-methyloxolane

3-ethenoxy-4-methoxy-2-(methoxymethyl)-5-methyloxolane (PubChem CID 139492004) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-ethenoxy-4-methoxy-2-(methoxymethyl)-5-methyloxolane.

Molecular Properties

Compound Name3-ethenoxy-4-methoxy-2-(methoxymethyl)-5-methyloxolane
PubChem CID139492004
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name3-ethenoxy-4-methoxy-2-(methoxymethyl)-5-methyloxolane
SMILESC=COC1C(COC)OC(C)C1OC
InChIInChI=1S/C10H18O4/c1-5-13-10-8(6-11-3)14-7(2)9(10)12-4/h5,7-10H,1,6H2,2-4H3
InChIKeyGFIRYSPMVVDQKM-UHFFFAOYSA-N
XLogP0.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane
CID 174068913
(3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane
CID 71166951
hydroxy-methoxy-[(2R,4R,5S)-4-methoxy-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-sulfanylidene-λ5-phosphane
CID 88878251
(3R)-4,5-dimethoxy-2-(methoxymethyl)-3-[(2S,5R)-6-(methoxymethyl)-5-methyloxan-2-yl]oxy-6-methyloxane
CID 59871063
2-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxyethanamine
CID 130187739
(2R,4R,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol
CID 158901361
(2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol
CID 158901360
(3S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane
CID 59039688
2-[2-hydroxyethoxy-[(2S,4S,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxymethoxy]ethanol
CID 59076217
(3S)-3,4,5-trimethoxy-2,6-dimethyloxane
CID 129044476
2-(methoxymethyl)-3,4,5-trimethyloxolane
CID 21349670
(2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxymethyl)oxane
CID 12900878

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-4-methoxy-2-(methoxymethyl)-5-methyloxolane?
The IUPAC name of 3-ethenoxy-4-methoxy-2-(methoxymethyl)-5-methyloxolane (CID 139492004) is 3-ethenoxy-4-methoxy-2-(methoxymethyl)-5-methyloxolane.
What is the SMILES notation for 3-ethenoxy-4-methoxy-2-(methoxymethyl)-5-methyloxolane?
The canonical SMILES for 3-ethenoxy-4-methoxy-2-(methoxymethyl)-5-methyloxolane is C=COC1C(COC)OC(C)C1OC.
What is the InChIKey of 3-ethenoxy-4-methoxy-2-(methoxymethyl)-5-methyloxolane?
The InChIKey is GFIRYSPMVVDQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-5-13-10-8(6-11-3)14-7(2)9(10)12-4/h5,7-10H,1,6H2,2-4H3.
What are the key properties of 3-ethenoxy-4-methoxy-2-(methoxymethyl)-5-methyloxolane?
3-ethenoxy-4-methoxy-2-(methoxymethyl)-5-methyloxolane has a molecular weight of 202.25 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-4-methoxy-2-(methoxymethyl)-5-methyloxolane is sourced from PubChem (CID 139492004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).