(2R,3R,4R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-propan-2-yloxyoxane

C12H24O5 — CID 121003650

IUPAC(2R,3R,4R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-propan-2-yloxyoxane
SMILESCOC[C@H]1O[C@@H](OC(C)C)C[C@@H](OC)[C@H]1OC
InChIInChI=1S/C12H24O5/c1-8(2)16-11-6-9(14-4)12(15-5)10(17-11)7-13-3/h8-12H,6-7H2,1-5H3/t9-,10-,11-,12-/m1/s1
InChIKeyHTBAYIOUXRVDDN-DDHJBXDOSA-N
MW248.32 g/mol
LogP1.20
Rot. Bonds6

About (2R,3R,4R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-propan-2-yloxyoxane

(2R,3R,4R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-propan-2-yloxyoxane (PubChem CID 121003650) has the molecular formula C12H24O5 and a molecular weight of 248.32 g/mol. Its IUPAC name is (2R,3R,4R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-propan-2-yloxyoxane.

Molecular Properties

Compound Name(2R,3R,4R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-propan-2-yloxyoxane
PubChem CID121003650
Molecular FormulaC12H24O5
Molecular Weight248.32 g/mol
Exact Mass248.16
IUPAC Name(2R,3R,4R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-propan-2-yloxyoxane
SMILESCOC[C@H]1O[C@@H](OC(C)C)C[C@@H](OC)[C@H]1OC
InChIInChI=1S/C12H24O5/c1-8(2)16-11-6-9(14-4)12(15-5)10(17-11)7-13-3/h8-12H,6-7H2,1-5H3/t9-,10-,11-,12-/m1/s1
InChIKeyHTBAYIOUXRVDDN-DDHJBXDOSA-N
XLogP1.20
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S,5S)-3,5-dimethoxy-2-(methoxymethyl)oxolane
CID 15061031
(2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane
CID 174068913
(2R,4S,6R)-5-methoxy-2-(methoxymethyl)-6-(3-methylbutoxy)-3,4-di(propan-2-yloxy)oxane
CID 163958040
9-[(2S,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 101122805
(2R,3S,5R)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763871
(2S,3S,4S,5S)-3,4,5-trimethoxy-2-(methoxymethyl)oxane
CID 122576492
(2R,3S,5S)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763870
(3R)-3,4,5-trimethoxy-2-(methoxymethyl)oxane
CID 122461193
[4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]-triphenylphosphanium tetrafluoroborate
CID 90660915
(2R,3S,4S,5R,6R)-2-butan-2-yloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane
CID 91752301
(2R,3S)-3-methoxy-4-propan-2-yloxy-2-(propan-2-yloxymethyl)oxolane
CID 177259803
(2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxymethyl)oxane
CID 12900878

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-propan-2-yloxyoxane?
The IUPAC name of (2R,3R,4R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-propan-2-yloxyoxane (CID 121003650) is (2R,3R,4R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-propan-2-yloxyoxane.
What is the SMILES notation for (2R,3R,4R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-propan-2-yloxyoxane?
The canonical SMILES for (2R,3R,4R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-propan-2-yloxyoxane is COC[C@H]1O[C@@H](OC(C)C)C[C@@H](OC)[C@H]1OC.
What is the InChIKey of (2R,3R,4R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-propan-2-yloxyoxane?
The InChIKey is HTBAYIOUXRVDDN-DDHJBXDOSA-N. The full InChI is InChI=1S/C12H24O5/c1-8(2)16-11-6-9(14-4)12(15-5)10(17-11)7-13-3/h8-12H,6-7H2,1-5H3/t9-,10-,11-,12-/m1/s1.
What are the key properties of (2R,3R,4R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-propan-2-yloxyoxane?
(2R,3R,4R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-propan-2-yloxyoxane has a molecular weight of 248.32 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-propan-2-yloxyoxane is sourced from PubChem (CID 121003650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).