10-[(E)-2-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]ethenyl]oxecan-2-one

C18H28O3 — CID 10589748

IUPAC10-[(E)-2-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]ethenyl]oxecan-2-one
SMILESCC/C=C\C[C@H]1O[C@@H]1/C=C/C1CCCCCCCC(=O)O1
InChIInChI=1S/C18H28O3/c1-2-3-7-11-16-17(21-16)14-13-15-10-8-5-4-6-9-12-18(19)20-15/h3,7,13-17H,2,4-6,8-12H2,1H3/b7-3-,14-13+/t15?,16-,17-/m1/s1
InChIKeyNQKZDMRQSOUOJH-OULGUUDZSA-N
MW292.42 g/mol
LogP4.32
Rot. Bonds5

About 10-[(E)-2-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]ethenyl]oxecan-2-one

10-[(E)-2-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]ethenyl]oxecan-2-one (PubChem CID 10589748) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 10-[(E)-2-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]ethenyl]oxecan-2-one.

Molecular Properties

Compound Name10-[(E)-2-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]ethenyl]oxecan-2-one
PubChem CID10589748
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name10-[(E)-2-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]ethenyl]oxecan-2-one
SMILESCC/C=C\C[C@H]1O[C@@H]1/C=C/C1CCCCCCCC(=O)O1
InChIInChI=1S/C18H28O3/c1-2-3-7-11-16-17(21-16)14-13-15-10-8-5-4-6-9-12-18(19)20-15/h3,7,13-17H,2,4-6,8-12H2,1H3/b7-3-,14-13+/t15?,16-,17-/m1/s1
InChIKeyNQKZDMRQSOUOJH-OULGUUDZSA-N
XLogP4.32
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[(E)-2-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]ethenyl]oxecan-2-one?
The IUPAC name of 10-[(E)-2-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]ethenyl]oxecan-2-one (CID 10589748) is 10-[(E)-2-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]ethenyl]oxecan-2-one.
What is the SMILES notation for 10-[(E)-2-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]ethenyl]oxecan-2-one?
The canonical SMILES for 10-[(E)-2-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]ethenyl]oxecan-2-one is CC/C=C\C[C@H]1O[C@@H]1/C=C/C1CCCCCCCC(=O)O1.
What is the InChIKey of 10-[(E)-2-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]ethenyl]oxecan-2-one?
The InChIKey is NQKZDMRQSOUOJH-OULGUUDZSA-N. The full InChI is InChI=1S/C18H28O3/c1-2-3-7-11-16-17(21-16)14-13-15-10-8-5-4-6-9-12-18(19)20-15/h3,7,13-17H,2,4-6,8-12H2,1H3/b7-3-,14-13+/t15?,16-,17-/m1/s1.
What are the key properties of 10-[(E)-2-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]ethenyl]oxecan-2-one?
10-[(E)-2-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]ethenyl]oxecan-2-one has a molecular weight of 292.42 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(E)-2-[(2R,3R)-3-[(Z)-pent-2-enyl]oxiran-2-yl]ethenyl]oxecan-2-one is sourced from PubChem (CID 10589748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).