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

C8H16O4 — CID 15061031

IUPAC(2R,3S,5S)-3,5-dimethoxy-2-(methoxymethyl)oxolane
SMILESCOC[C@H]1O[C@H](OC)C[C@@H]1OC
InChIInChI=1S/C8H16O4/c1-9-5-7-6(10-2)4-8(11-3)12-7/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m0/s1
InChIKeyPYPPAQDRBLJTIU-RNJXMRFFSA-N
MW176.21 g/mol
LogP0.41
Rot. Bonds4

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

(2R,3S,5S)-3,5-dimethoxy-2-(methoxymethyl)oxolane (PubChem CID 15061031) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (2R,3S,5S)-3,5-dimethoxy-2-(methoxymethyl)oxolane.

Molecular Properties

Compound Name(2R,3S,5S)-3,5-dimethoxy-2-(methoxymethyl)oxolane
PubChem CID15061031
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(2R,3S,5S)-3,5-dimethoxy-2-(methoxymethyl)oxolane
SMILESCOC[C@H]1O[C@H](OC)C[C@@H]1OC
InChIInChI=1S/C8H16O4/c1-9-5-7-6(10-2)4-8(11-3)12-7/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m0/s1
InChIKeyPYPPAQDRBLJTIU-RNJXMRFFSA-N
XLogP0.41
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,5R)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763871
(2R,3S,5S)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763870
(2R,5R)-3-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)oxolane
CID 163887966
(2R,3R,4R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-propan-2-yloxyoxane
CID 121003650
[(2R,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]methyl acetate
CID 14214681
[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea
CID 59059665
(2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane
CID 174068913
(2S,3S,5S)-2-ethyl-5-methoxyoxolan-3-ol
CID 158313772
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 11012146
CID 158919548
CID 158919548
CID 157325949
CID 157325949
CID 153446261
CID 153446261

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-3,5-dimethoxy-2-(methoxymethyl)oxolane?
The IUPAC name of (2R,3S,5S)-3,5-dimethoxy-2-(methoxymethyl)oxolane (CID 15061031) is (2R,3S,5S)-3,5-dimethoxy-2-(methoxymethyl)oxolane.
What is the SMILES notation for (2R,3S,5S)-3,5-dimethoxy-2-(methoxymethyl)oxolane?
The canonical SMILES for (2R,3S,5S)-3,5-dimethoxy-2-(methoxymethyl)oxolane is COC[C@H]1O[C@H](OC)C[C@@H]1OC.
What is the InChIKey of (2R,3S,5S)-3,5-dimethoxy-2-(methoxymethyl)oxolane?
The InChIKey is PYPPAQDRBLJTIU-RNJXMRFFSA-N. The full InChI is InChI=1S/C8H16O4/c1-9-5-7-6(10-2)4-8(11-3)12-7/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m0/s1.
What are the key properties of (2R,3S,5S)-3,5-dimethoxy-2-(methoxymethyl)oxolane?
(2R,3S,5S)-3,5-dimethoxy-2-(methoxymethyl)oxolane has a molecular weight of 176.21 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-3,5-dimethoxy-2-(methoxymethyl)oxolane is sourced from PubChem (CID 15061031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).