(2R,4S)-2-methoxy-2-[(E)-pent-3-enyl]oxan-4-ol

C11H20O3 — CID 11117066

IUPAC(2R,4S)-2-methoxy-2-[(E)-pent-3-enyl]oxan-4-ol
SMILESC/C=C/CC[C@]1(OC)C[C@@H](O)CCO1
InChIInChI=1S/C11H20O3/c1-3-4-5-7-11(13-2)9-10(12)6-8-14-11/h3-4,10,12H,5-9H2,1-2H3/b4-3+/t10-,11+/m0/s1
InChIKeyXPPHTOCFYLAQJN-MJKAUQOVSA-N
MW200.28 g/mol
LogP1.86
Rot. Bonds4

About (2R,4S)-2-methoxy-2-[(E)-pent-3-enyl]oxan-4-ol

(2R,4S)-2-methoxy-2-[(E)-pent-3-enyl]oxan-4-ol (PubChem CID 11117066) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2R,4S)-2-methoxy-2-[(E)-pent-3-enyl]oxan-4-ol.

Molecular Properties

Compound Name(2R,4S)-2-methoxy-2-[(E)-pent-3-enyl]oxan-4-ol
PubChem CID11117066
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(2R,4S)-2-methoxy-2-[(E)-pent-3-enyl]oxan-4-ol
SMILESC/C=C/CC[C@]1(OC)C[C@@H](O)CCO1
InChIInChI=1S/C11H20O3/c1-3-4-5-7-11(13-2)9-10(12)6-8-14-11/h3-4,10,12H,5-9H2,1-2H3/b4-3+/t10-,11+/m0/s1
InChIKeyXPPHTOCFYLAQJN-MJKAUQOVSA-N
XLogP1.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2R,4S)-2-methoxy-2-[(E)-pent-3-enyl]oxan-4-ol?
The IUPAC name of (2R,4S)-2-methoxy-2-[(E)-pent-3-enyl]oxan-4-ol (CID 11117066) is (2R,4S)-2-methoxy-2-[(E)-pent-3-enyl]oxan-4-ol.
What is the SMILES notation for (2R,4S)-2-methoxy-2-[(E)-pent-3-enyl]oxan-4-ol?
The canonical SMILES for (2R,4S)-2-methoxy-2-[(E)-pent-3-enyl]oxan-4-ol is C/C=C/CC[C@]1(OC)C[C@@H](O)CCO1.
What is the InChIKey of (2R,4S)-2-methoxy-2-[(E)-pent-3-enyl]oxan-4-ol?
The InChIKey is XPPHTOCFYLAQJN-MJKAUQOVSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-4-5-7-11(13-2)9-10(12)6-8-14-11/h3-4,10,12H,5-9H2,1-2H3/b4-3+/t10-,11+/m0/s1.
What are the key properties of (2R,4S)-2-methoxy-2-[(E)-pent-3-enyl]oxan-4-ol?
(2R,4S)-2-methoxy-2-[(E)-pent-3-enyl]oxan-4-ol has a molecular weight of 200.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-methoxy-2-[(E)-pent-3-enyl]oxan-4-ol is sourced from PubChem (CID 11117066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).