methyl 2-[(2R,4R,5R,6S)-4-hydroxy-2-methoxy-5-methyl-6-[(E)-pent-2-en-2-yl]oxan-2-yl]acetate

C15H26O5 — CID 14705405

IUPACmethyl 2-[(2R,4R,5R,6S)-4-hydroxy-2-methoxy-5-methyl-6-[(E)-pent-2-en-2-yl]oxan-2-yl]acetate
SMILESCC/C=C(\C)[C@H]1O[C@](CC(=O)OC)(OC)C[C@@H](O)[C@H]1C
InChIInChI=1S/C15H26O5/c1-6-7-10(2)14-11(3)12(16)8-15(19-5,20-14)9-13(17)18-4/h7,11-12,14,16H,6,8-9H2,1-5H3/b10-7+/t11-,12-,14-,15-/m1/s1
InChIKeyKTEQHJGQHKNZQH-BNEFSDLTSA-N
MW286.37 g/mol
LogP2.03
Rot. Bonds5

About methyl 2-[(2R,4R,5R,6S)-4-hydroxy-2-methoxy-5-methyl-6-[(E)-pent-2-en-2-yl]oxan-2-yl]acetate

methyl 2-[(2R,4R,5R,6S)-4-hydroxy-2-methoxy-5-methyl-6-[(E)-pent-2-en-2-yl]oxan-2-yl]acetate (PubChem CID 14705405) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is methyl 2-[(2R,4R,5R,6S)-4-hydroxy-2-methoxy-5-methyl-6-[(E)-pent-2-en-2-yl]oxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,4R,5R,6S)-4-hydroxy-2-methoxy-5-methyl-6-[(E)-pent-2-en-2-yl]oxan-2-yl]acetate
PubChem CID14705405
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Namemethyl 2-[(2R,4R,5R,6S)-4-hydroxy-2-methoxy-5-methyl-6-[(E)-pent-2-en-2-yl]oxan-2-yl]acetate
SMILESCC/C=C(\C)[C@H]1O[C@](CC(=O)OC)(OC)C[C@@H](O)[C@H]1C
InChIInChI=1S/C15H26O5/c1-6-7-10(2)14-11(3)12(16)8-15(19-5,20-14)9-13(17)18-4/h7,11-12,14,16H,6,8-9H2,1-5H3/b10-7+/t11-,12-,14-,15-/m1/s1
InChIKeyKTEQHJGQHKNZQH-BNEFSDLTSA-N
XLogP2.03
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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,4R,5R,6S)-4-hydroxy-2-methoxy-5-methyl-6-[(E)-pent-2-en-2-yl]oxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,4R,5R,6S)-4-hydroxy-2-methoxy-5-methyl-6-[(E)-pent-2-en-2-yl]oxan-2-yl]acetate (CID 14705405) is methyl 2-[(2R,4R,5R,6S)-4-hydroxy-2-methoxy-5-methyl-6-[(E)-pent-2-en-2-yl]oxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,4R,5R,6S)-4-hydroxy-2-methoxy-5-methyl-6-[(E)-pent-2-en-2-yl]oxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,4R,5R,6S)-4-hydroxy-2-methoxy-5-methyl-6-[(E)-pent-2-en-2-yl]oxan-2-yl]acetate is CC/C=C(\C)[C@H]1O[C@](CC(=O)OC)(OC)C[C@@H](O)[C@H]1C.
What is the InChIKey of methyl 2-[(2R,4R,5R,6S)-4-hydroxy-2-methoxy-5-methyl-6-[(E)-pent-2-en-2-yl]oxan-2-yl]acetate?
The InChIKey is KTEQHJGQHKNZQH-BNEFSDLTSA-N. The full InChI is InChI=1S/C15H26O5/c1-6-7-10(2)14-11(3)12(16)8-15(19-5,20-14)9-13(17)18-4/h7,11-12,14,16H,6,8-9H2,1-5H3/b10-7+/t11-,12-,14-,15-/m1/s1.
What are the key properties of methyl 2-[(2R,4R,5R,6S)-4-hydroxy-2-methoxy-5-methyl-6-[(E)-pent-2-en-2-yl]oxan-2-yl]acetate?
methyl 2-[(2R,4R,5R,6S)-4-hydroxy-2-methoxy-5-methyl-6-[(E)-pent-2-en-2-yl]oxan-2-yl]acetate has a molecular weight of 286.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,4R,5R,6S)-4-hydroxy-2-methoxy-5-methyl-6-[(E)-pent-2-en-2-yl]oxan-2-yl]acetate is sourced from PubChem (CID 14705405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).