methyl 2-[(2R,4S,6S)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate

C11H18O4 — CID 11769844

IUPACmethyl 2-[(2R,4S,6S)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate
SMILESC=CC[C@H]1C[C@H](O)C[C@H](CC(=O)OC)O1
InChIInChI=1S/C11H18O4/c1-3-4-9-5-8(12)6-10(15-9)7-11(13)14-2/h3,8-10,12H,1,4-7H2,2H3/t8-,9-,10+/m0/s1
InChIKeyJZOHPZLQZPKBNJ-LPEHRKFASA-N
MW214.26 g/mol
LogP1.03
Rot. Bonds4

About methyl 2-[(2R,4S,6S)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate

methyl 2-[(2R,4S,6S)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate (PubChem CID 11769844) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 2-[(2R,4S,6S)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,4S,6S)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate
PubChem CID11769844
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl 2-[(2R,4S,6S)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate
SMILESC=CC[C@H]1C[C@H](O)C[C@H](CC(=O)OC)O1
InChIInChI=1S/C11H18O4/c1-3-4-9-5-8(12)6-10(15-9)7-11(13)14-2/h3,8-10,12H,1,4-7H2,2H3/t8-,9-,10+/m0/s1
InChIKeyJZOHPZLQZPKBNJ-LPEHRKFASA-N
XLogP1.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
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 methyl 2-[(2R,4S,6S)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,4S,6S)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate (CID 11769844) is methyl 2-[(2R,4S,6S)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,4S,6S)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,4S,6S)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate is C=CC[C@H]1C[C@H](O)C[C@H](CC(=O)OC)O1.
What is the InChIKey of methyl 2-[(2R,4S,6S)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate?
The InChIKey is JZOHPZLQZPKBNJ-LPEHRKFASA-N. The full InChI is InChI=1S/C11H18O4/c1-3-4-9-5-8(12)6-10(15-9)7-11(13)14-2/h3,8-10,12H,1,4-7H2,2H3/t8-,9-,10+/m0/s1.
What are the key properties of methyl 2-[(2R,4S,6S)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate?
methyl 2-[(2R,4S,6S)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate has a molecular weight of 214.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,4S,6S)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate is sourced from PubChem (CID 11769844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).