(2R,3R,4S,5S)-4,5-dimethoxy-2-(prop-2-enoxymethyl)oxan-3-ol

C11H20O5 — CID 16742817

IUPAC(2R,3R,4S,5S)-4,5-dimethoxy-2-(prop-2-enoxymethyl)oxan-3-ol
SMILESC=CCOC[C@H]1OC[C@H](OC)[C@@H](OC)[C@@H]1O
InChIInChI=1S/C11H20O5/c1-4-5-15-6-8-10(12)11(14-3)9(13-2)7-16-8/h4,8-12H,1,5-7H2,2-3H3/t8-,9+,10-,11-/m1/s1
InChIKeyLDDOKMZGDBEUGM-LMLFDSFASA-N
MW232.28 g/mol
LogP-0.02
Rot. Bonds6

About (2R,3R,4S,5S)-4,5-dimethoxy-2-(prop-2-enoxymethyl)oxan-3-ol

(2R,3R,4S,5S)-4,5-dimethoxy-2-(prop-2-enoxymethyl)oxan-3-ol (PubChem CID 16742817) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2R,3R,4S,5S)-4,5-dimethoxy-2-(prop-2-enoxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-4,5-dimethoxy-2-(prop-2-enoxymethyl)oxan-3-ol
PubChem CID16742817
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name(2R,3R,4S,5S)-4,5-dimethoxy-2-(prop-2-enoxymethyl)oxan-3-ol
SMILESC=CCOC[C@H]1OC[C@H](OC)[C@@H](OC)[C@@H]1O
InChIInChI=1S/C11H20O5/c1-4-5-15-6-8-10(12)11(14-3)9(13-2)7-16-8/h4,8-12H,1,5-7H2,2-3H3/t8-,9+,10-,11-/m1/s1
InChIKeyLDDOKMZGDBEUGM-LMLFDSFASA-N
XLogP-0.02
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-4,5-dimethoxy-2-(prop-2-enoxymethyl)oxan-3-ol?
The IUPAC name of (2R,3R,4S,5S)-4,5-dimethoxy-2-(prop-2-enoxymethyl)oxan-3-ol (CID 16742817) is (2R,3R,4S,5S)-4,5-dimethoxy-2-(prop-2-enoxymethyl)oxan-3-ol.
What is the SMILES notation for (2R,3R,4S,5S)-4,5-dimethoxy-2-(prop-2-enoxymethyl)oxan-3-ol?
The canonical SMILES for (2R,3R,4S,5S)-4,5-dimethoxy-2-(prop-2-enoxymethyl)oxan-3-ol is C=CCOC[C@H]1OC[C@H](OC)[C@@H](OC)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-4,5-dimethoxy-2-(prop-2-enoxymethyl)oxan-3-ol?
The InChIKey is LDDOKMZGDBEUGM-LMLFDSFASA-N. The full InChI is InChI=1S/C11H20O5/c1-4-5-15-6-8-10(12)11(14-3)9(13-2)7-16-8/h4,8-12H,1,5-7H2,2-3H3/t8-,9+,10-,11-/m1/s1.
What are the key properties of (2R,3R,4S,5S)-4,5-dimethoxy-2-(prop-2-enoxymethyl)oxan-3-ol?
(2R,3R,4S,5S)-4,5-dimethoxy-2-(prop-2-enoxymethyl)oxan-3-ol has a molecular weight of 232.28 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-4,5-dimethoxy-2-(prop-2-enoxymethyl)oxan-3-ol is sourced from PubChem (CID 16742817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).