(2R,3R,4R,5S)-3,4-dimethoxy-2,5-bis(methoxymethyl)oxolane

C10H20O5 — CID 21140309

IUPAC(2R,3R,4R,5S)-3,4-dimethoxy-2,5-bis(methoxymethyl)oxolane
SMILESCOC[C@@H]1O[C@H](COC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C10H20O5/c1-11-5-7-9(13-3)10(14-4)8(15-7)6-12-2/h7-10H,5-6H2,1-4H3/t7-,8+,9-,10-/m1/s1
InChIKeyCTABHMYZGOUANG-UTINFBMNSA-N
MW220.26 g/mol
LogP0.08
Rot. Bonds6

About (2R,3R,4R,5S)-3,4-dimethoxy-2,5-bis(methoxymethyl)oxolane

(2R,3R,4R,5S)-3,4-dimethoxy-2,5-bis(methoxymethyl)oxolane (PubChem CID 21140309) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is (2R,3R,4R,5S)-3,4-dimethoxy-2,5-bis(methoxymethyl)oxolane.

Molecular Properties

Compound Name(2R,3R,4R,5S)-3,4-dimethoxy-2,5-bis(methoxymethyl)oxolane
PubChem CID21140309
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name(2R,3R,4R,5S)-3,4-dimethoxy-2,5-bis(methoxymethyl)oxolane
SMILESCOC[C@@H]1O[C@H](COC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C10H20O5/c1-11-5-7-9(13-3)10(14-4)8(15-7)6-12-2/h7-10H,5-6H2,1-4H3/t7-,8+,9-,10-/m1/s1
InChIKeyCTABHMYZGOUANG-UTINFBMNSA-N
XLogP0.08
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-3,4-dimethoxy-2,5-bis(methoxymethyl)oxolane?
The IUPAC name of (2R,3R,4R,5S)-3,4-dimethoxy-2,5-bis(methoxymethyl)oxolane (CID 21140309) is (2R,3R,4R,5S)-3,4-dimethoxy-2,5-bis(methoxymethyl)oxolane.
What is the SMILES notation for (2R,3R,4R,5S)-3,4-dimethoxy-2,5-bis(methoxymethyl)oxolane?
The canonical SMILES for (2R,3R,4R,5S)-3,4-dimethoxy-2,5-bis(methoxymethyl)oxolane is COC[C@@H]1O[C@H](COC)[C@@H](OC)[C@@H]1OC.
What is the InChIKey of (2R,3R,4R,5S)-3,4-dimethoxy-2,5-bis(methoxymethyl)oxolane?
The InChIKey is CTABHMYZGOUANG-UTINFBMNSA-N. The full InChI is InChI=1S/C10H20O5/c1-11-5-7-9(13-3)10(14-4)8(15-7)6-12-2/h7-10H,5-6H2,1-4H3/t7-,8+,9-,10-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-3,4-dimethoxy-2,5-bis(methoxymethyl)oxolane?
(2R,3R,4R,5S)-3,4-dimethoxy-2,5-bis(methoxymethyl)oxolane has a molecular weight of 220.26 g/mol, XLogP of 0.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-3,4-dimethoxy-2,5-bis(methoxymethyl)oxolane is sourced from PubChem (CID 21140309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).