(2S,3S,4S,5S)-3,5-dimethoxy-2-methyl-4-prop-2-enoxyoxane

C11H20O4 — CID 89160630

IUPAC(2S,3S,4S,5S)-3,5-dimethoxy-2-methyl-4-prop-2-enoxyoxane
SMILESC=CCO[C@@H]1[C@@H](OC)[C@H](C)OC[C@@H]1OC
InChIInChI=1S/C11H20O4/c1-5-6-14-11-9(12-3)7-15-8(2)10(11)13-4/h5,8-11H,1,6-7H2,2-4H3/t8-,9-,10-,11-/m0/s1
InChIKeyCBKXVOLBXPMURD-NAKRPEOUSA-N
MW216.28 g/mol
LogP1.01
Rot. Bonds5

About (2S,3S,4S,5S)-3,5-dimethoxy-2-methyl-4-prop-2-enoxyoxane

(2S,3S,4S,5S)-3,5-dimethoxy-2-methyl-4-prop-2-enoxyoxane (PubChem CID 89160630) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S,3S,4S,5S)-3,5-dimethoxy-2-methyl-4-prop-2-enoxyoxane.

Molecular Properties

Compound Name(2S,3S,4S,5S)-3,5-dimethoxy-2-methyl-4-prop-2-enoxyoxane
PubChem CID89160630
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(2S,3S,4S,5S)-3,5-dimethoxy-2-methyl-4-prop-2-enoxyoxane
SMILESC=CCO[C@@H]1[C@@H](OC)[C@H](C)OC[C@@H]1OC
InChIInChI=1S/C11H20O4/c1-5-6-14-11-9(12-3)7-15-8(2)10(11)13-4/h5,8-11H,1,6-7H2,2-4H3/t8-,9-,10-,11-/m0/s1
InChIKeyCBKXVOLBXPMURD-NAKRPEOUSA-N
XLogP1.01
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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 (2S,3S,4S,5S)-3,5-dimethoxy-2-methyl-4-prop-2-enoxyoxane?
The IUPAC name of (2S,3S,4S,5S)-3,5-dimethoxy-2-methyl-4-prop-2-enoxyoxane (CID 89160630) is (2S,3S,4S,5S)-3,5-dimethoxy-2-methyl-4-prop-2-enoxyoxane.
What is the SMILES notation for (2S,3S,4S,5S)-3,5-dimethoxy-2-methyl-4-prop-2-enoxyoxane?
The canonical SMILES for (2S,3S,4S,5S)-3,5-dimethoxy-2-methyl-4-prop-2-enoxyoxane is C=CCO[C@@H]1[C@@H](OC)[C@H](C)OC[C@@H]1OC.
What is the InChIKey of (2S,3S,4S,5S)-3,5-dimethoxy-2-methyl-4-prop-2-enoxyoxane?
The InChIKey is CBKXVOLBXPMURD-NAKRPEOUSA-N. The full InChI is InChI=1S/C11H20O4/c1-5-6-14-11-9(12-3)7-15-8(2)10(11)13-4/h5,8-11H,1,6-7H2,2-4H3/t8-,9-,10-,11-/m0/s1.
What are the key properties of (2S,3S,4S,5S)-3,5-dimethoxy-2-methyl-4-prop-2-enoxyoxane?
(2S,3S,4S,5S)-3,5-dimethoxy-2-methyl-4-prop-2-enoxyoxane has a molecular weight of 216.28 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S)-3,5-dimethoxy-2-methyl-4-prop-2-enoxyoxane is sourced from PubChem (CID 89160630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).