(2R)-2-[[(Z)-dec-4-enoxy]methyl]oxirane

C13H24O2 — CID 88534362

IUPAC(2R)-2-[[(Z)-dec-4-enoxy]methyl]oxirane
SMILESCCCCC/C=C\CCCOC[C@H]1CO1
InChIInChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-14-11-13-12-15-13/h6-7,13H,2-5,8-12H2,1H3/b7-6-/t13-/m0/s1
InChIKeyXSHUVFSZFZTIFP-FWWRYZNZSA-N
MW212.33 g/mol
LogP3.32
Rot. Bonds10

About (2R)-2-[[(Z)-dec-4-enoxy]methyl]oxirane

(2R)-2-[[(Z)-dec-4-enoxy]methyl]oxirane (PubChem CID 88534362) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (2R)-2-[[(Z)-dec-4-enoxy]methyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[[(Z)-dec-4-enoxy]methyl]oxirane
PubChem CID88534362
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(2R)-2-[[(Z)-dec-4-enoxy]methyl]oxirane
SMILESCCCCC/C=C\CCCOC[C@H]1CO1
InChIInChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-14-11-13-12-15-13/h6-7,13H,2-5,8-12H2,1H3/b7-6-/t13-/m0/s1
InChIKeyXSHUVFSZFZTIFP-FWWRYZNZSA-N
XLogP3.32
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.32
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(Z)-dec-4-enoxy]methyl]oxirane?
The IUPAC name of (2R)-2-[[(Z)-dec-4-enoxy]methyl]oxirane (CID 88534362) is (2R)-2-[[(Z)-dec-4-enoxy]methyl]oxirane.
What is the SMILES notation for (2R)-2-[[(Z)-dec-4-enoxy]methyl]oxirane?
The canonical SMILES for (2R)-2-[[(Z)-dec-4-enoxy]methyl]oxirane is CCCCC/C=C\CCCOC[C@H]1CO1.
What is the InChIKey of (2R)-2-[[(Z)-dec-4-enoxy]methyl]oxirane?
The InChIKey is XSHUVFSZFZTIFP-FWWRYZNZSA-N. The full InChI is InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-14-11-13-12-15-13/h6-7,13H,2-5,8-12H2,1H3/b7-6-/t13-/m0/s1.
What are the key properties of (2R)-2-[[(Z)-dec-4-enoxy]methyl]oxirane?
(2R)-2-[[(Z)-dec-4-enoxy]methyl]oxirane has a molecular weight of 212.33 g/mol, XLogP of 3.32, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(Z)-dec-4-enoxy]methyl]oxirane is sourced from PubChem (CID 88534362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).