(2R,4R,5S)-3-methoxy-2-(methoxymethyl)-5-methyl-4-prop-2-enoxyoxolane

C11H20O4 — CID 130187740

IUPAC(2R,4R,5S)-3-methoxy-2-(methoxymethyl)-5-methyl-4-prop-2-enoxyoxolane
SMILESC=CCO[C@H]1C(OC)[C@@H](COC)O[C@H]1C
InChIInChI=1S/C11H20O4/c1-5-6-14-10-8(2)15-9(7-12-3)11(10)13-4/h5,8-11H,1,6-7H2,2-4H3/t8-,9+,10+,11?/m0/s1
InChIKeyOYPRWZMMLIJWAS-JSBCTHHUSA-N
MW216.28 g/mol
LogP1.01
Rot. Bonds6

About (2R,4R,5S)-3-methoxy-2-(methoxymethyl)-5-methyl-4-prop-2-enoxyoxolane

(2R,4R,5S)-3-methoxy-2-(methoxymethyl)-5-methyl-4-prop-2-enoxyoxolane (PubChem CID 130187740) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2R,4R,5S)-3-methoxy-2-(methoxymethyl)-5-methyl-4-prop-2-enoxyoxolane.

Molecular Properties

Compound Name(2R,4R,5S)-3-methoxy-2-(methoxymethyl)-5-methyl-4-prop-2-enoxyoxolane
PubChem CID130187740
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(2R,4R,5S)-3-methoxy-2-(methoxymethyl)-5-methyl-4-prop-2-enoxyoxolane
SMILESC=CCO[C@H]1C(OC)[C@@H](COC)O[C@H]1C
InChIInChI=1S/C11H20O4/c1-5-6-14-10-8(2)15-9(7-12-3)11(10)13-4/h5,8-11H,1,6-7H2,2-4H3/t8-,9+,10+,11?/m0/s1
InChIKeyOYPRWZMMLIJWAS-JSBCTHHUSA-N
XLogP1.01
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S)-3-methoxy-2-(methoxymethyl)-5-methyl-4-prop-2-enoxyoxolane?
The IUPAC name of (2R,4R,5S)-3-methoxy-2-(methoxymethyl)-5-methyl-4-prop-2-enoxyoxolane (CID 130187740) is (2R,4R,5S)-3-methoxy-2-(methoxymethyl)-5-methyl-4-prop-2-enoxyoxolane.
What is the SMILES notation for (2R,4R,5S)-3-methoxy-2-(methoxymethyl)-5-methyl-4-prop-2-enoxyoxolane?
The canonical SMILES for (2R,4R,5S)-3-methoxy-2-(methoxymethyl)-5-methyl-4-prop-2-enoxyoxolane is C=CCO[C@H]1C(OC)[C@@H](COC)O[C@H]1C.
What is the InChIKey of (2R,4R,5S)-3-methoxy-2-(methoxymethyl)-5-methyl-4-prop-2-enoxyoxolane?
The InChIKey is OYPRWZMMLIJWAS-JSBCTHHUSA-N. The full InChI is InChI=1S/C11H20O4/c1-5-6-14-10-8(2)15-9(7-12-3)11(10)13-4/h5,8-11H,1,6-7H2,2-4H3/t8-,9+,10+,11?/m0/s1.
What are the key properties of (2R,4R,5S)-3-methoxy-2-(methoxymethyl)-5-methyl-4-prop-2-enoxyoxolane?
(2R,4R,5S)-3-methoxy-2-(methoxymethyl)-5-methyl-4-prop-2-enoxyoxolane has a molecular weight of 216.28 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S)-3-methoxy-2-(methoxymethyl)-5-methyl-4-prop-2-enoxyoxolane is sourced from PubChem (CID 130187740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).