(2R)-2-[(E)-hex-3-enoxy]-2H-pyran

C11H16O2 — CID 6450432

IUPAC(2R)-2-[(E)-hex-3-enoxy]-2H-pyran
SMILESCC/C=C/CCO[C@H]1C=CC=CO1
InChIInChI=1S/C11H16O2/c1-2-3-4-6-9-12-11-8-5-7-10-13-11/h3-5,7-8,10-11H,2,6,9H2,1H3/b4-3+/t11-/m1/s1
InChIKeyUVCTWFVFIBIZDH-PGLGOXFNSA-N
MW180.25 g/mol
LogP2.79
Rot. Bonds5

About (2R)-2-[(E)-hex-3-enoxy]-2H-pyran

(2R)-2-[(E)-hex-3-enoxy]-2H-pyran (PubChem CID 6450432) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (2R)-2-[(E)-hex-3-enoxy]-2H-pyran.

Molecular Properties

Compound Name(2R)-2-[(E)-hex-3-enoxy]-2H-pyran
PubChem CID6450432
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(2R)-2-[(E)-hex-3-enoxy]-2H-pyran
SMILESCC/C=C/CCO[C@H]1C=CC=CO1
InChIInChI=1S/C11H16O2/c1-2-3-4-6-9-12-11-8-5-7-10-13-11/h3-5,7-8,10-11H,2,6,9H2,1H3/b4-3+/t11-/m1/s1
InChIKeyUVCTWFVFIBIZDH-PGLGOXFNSA-N
XLogP2.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-2-[(E)-hex-3-enoxy]-2H-pyran?
The IUPAC name of (2R)-2-[(E)-hex-3-enoxy]-2H-pyran (CID 6450432) is (2R)-2-[(E)-hex-3-enoxy]-2H-pyran.
What is the SMILES notation for (2R)-2-[(E)-hex-3-enoxy]-2H-pyran?
The canonical SMILES for (2R)-2-[(E)-hex-3-enoxy]-2H-pyran is CC/C=C/CCO[C@H]1C=CC=CO1.
What is the InChIKey of (2R)-2-[(E)-hex-3-enoxy]-2H-pyran?
The InChIKey is UVCTWFVFIBIZDH-PGLGOXFNSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-3-4-6-9-12-11-8-5-7-10-13-11/h3-5,7-8,10-11H,2,6,9H2,1H3/b4-3+/t11-/m1/s1.
What are the key properties of (2R)-2-[(E)-hex-3-enoxy]-2H-pyran?
(2R)-2-[(E)-hex-3-enoxy]-2H-pyran has a molecular weight of 180.25 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E)-hex-3-enoxy]-2H-pyran is sourced from PubChem (CID 6450432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).