(2R)-2-[(E)-pent-1-enyl]-2,3-dihydropyran-6-one

C10H14O2 — CID 135012471

IUPAC(2R)-2-[(E)-pent-1-enyl]-2,3-dihydropyran-6-one
SMILESCCC/C=C/[C@H]1CC=CC(=O)O1
InChIInChI=1S/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h4-6,8-9H,2-3,7H2,1H3/b6-4+/t9-/m0/s1
InChIKeyYGYKQIJLOVAUKY-DNQSNQRASA-N
MW166.22 g/mol
LogP2.21
Rot. Bonds3

About (2R)-2-[(E)-pent-1-enyl]-2,3-dihydropyran-6-one

(2R)-2-[(E)-pent-1-enyl]-2,3-dihydropyran-6-one (PubChem CID 135012471) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (2R)-2-[(E)-pent-1-enyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(E)-pent-1-enyl]-2,3-dihydropyran-6-one
PubChem CID135012471
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(2R)-2-[(E)-pent-1-enyl]-2,3-dihydropyran-6-one
SMILESCCC/C=C/[C@H]1CC=CC(=O)O1
InChIInChI=1S/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h4-6,8-9H,2-3,7H2,1H3/b6-4+/t9-/m0/s1
InChIKeyYGYKQIJLOVAUKY-DNQSNQRASA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-2-[(E)-pent-1-enyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(E)-pent-1-enyl]-2,3-dihydropyran-6-one (CID 135012471) is (2R)-2-[(E)-pent-1-enyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(E)-pent-1-enyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(E)-pent-1-enyl]-2,3-dihydropyran-6-one is CCC/C=C/[C@H]1CC=CC(=O)O1.
What is the InChIKey of (2R)-2-[(E)-pent-1-enyl]-2,3-dihydropyran-6-one?
The InChIKey is YGYKQIJLOVAUKY-DNQSNQRASA-N. The full InChI is InChI=1S/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h4-6,8-9H,2-3,7H2,1H3/b6-4+/t9-/m0/s1.
What are the key properties of (2R)-2-[(E)-pent-1-enyl]-2,3-dihydropyran-6-one?
(2R)-2-[(E)-pent-1-enyl]-2,3-dihydropyran-6-one has a molecular weight of 166.22 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E)-pent-1-enyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 135012471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).