[(Z,4R)-1-[(2S,3R)-3-methyl-5-oxooxolan-2-yl]oct-2-en-4-yl] acetate

C15H24O4 — CID 163033176

IUPAC[(Z,4R)-1-[(2S,3R)-3-methyl-5-oxooxolan-2-yl]oct-2-en-4-yl] acetate
SMILESCCCC[C@H](/C=C\C[C@@H]1OC(=O)C[C@H]1C)OC(C)=O
InChIInChI=1S/C15H24O4/c1-4-5-7-13(18-12(3)16)8-6-9-14-11(2)10-15(17)19-14/h6,8,11,13-14H,4-5,7,9-10H2,1-3H3/b8-6-/t11-,13-,14+/m1/s1
InChIKeyFZGIAQXFGBDFII-KFJIWYCHSA-N
MW268.35 g/mol
LogP3.01
Rot. Bonds7

About [(Z,4R)-1-[(2S,3R)-3-methyl-5-oxooxolan-2-yl]oct-2-en-4-yl] acetate

[(Z,4R)-1-[(2S,3R)-3-methyl-5-oxooxolan-2-yl]oct-2-en-4-yl] acetate (PubChem CID 163033176) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is [(Z,4R)-1-[(2S,3R)-3-methyl-5-oxooxolan-2-yl]oct-2-en-4-yl] acetate.

Molecular Properties

Compound Name[(Z,4R)-1-[(2S,3R)-3-methyl-5-oxooxolan-2-yl]oct-2-en-4-yl] acetate
PubChem CID163033176
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name[(Z,4R)-1-[(2S,3R)-3-methyl-5-oxooxolan-2-yl]oct-2-en-4-yl] acetate
SMILESCCCC[C@H](/C=C\C[C@@H]1OC(=O)C[C@H]1C)OC(C)=O
InChIInChI=1S/C15H24O4/c1-4-5-7-13(18-12(3)16)8-6-9-14-11(2)10-15(17)19-14/h6,8,11,13-14H,4-5,7,9-10H2,1-3H3/b8-6-/t11-,13-,14+/m1/s1
InChIKeyFZGIAQXFGBDFII-KFJIWYCHSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [(Z,4R)-1-[(2S,3R)-3-methyl-5-oxooxolan-2-yl]oct-2-en-4-yl] acetate?
The IUPAC name of [(Z,4R)-1-[(2S,3R)-3-methyl-5-oxooxolan-2-yl]oct-2-en-4-yl] acetate (CID 163033176) is [(Z,4R)-1-[(2S,3R)-3-methyl-5-oxooxolan-2-yl]oct-2-en-4-yl] acetate.
What is the SMILES notation for [(Z,4R)-1-[(2S,3R)-3-methyl-5-oxooxolan-2-yl]oct-2-en-4-yl] acetate?
The canonical SMILES for [(Z,4R)-1-[(2S,3R)-3-methyl-5-oxooxolan-2-yl]oct-2-en-4-yl] acetate is CCCC[C@H](/C=C\C[C@@H]1OC(=O)C[C@H]1C)OC(C)=O.
What is the InChIKey of [(Z,4R)-1-[(2S,3R)-3-methyl-5-oxooxolan-2-yl]oct-2-en-4-yl] acetate?
The InChIKey is FZGIAQXFGBDFII-KFJIWYCHSA-N. The full InChI is InChI=1S/C15H24O4/c1-4-5-7-13(18-12(3)16)8-6-9-14-11(2)10-15(17)19-14/h6,8,11,13-14H,4-5,7,9-10H2,1-3H3/b8-6-/t11-,13-,14+/m1/s1.
What are the key properties of [(Z,4R)-1-[(2S,3R)-3-methyl-5-oxooxolan-2-yl]oct-2-en-4-yl] acetate?
[(Z,4R)-1-[(2S,3R)-3-methyl-5-oxooxolan-2-yl]oct-2-en-4-yl] acetate has a molecular weight of 268.35 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,4R)-1-[(2S,3R)-3-methyl-5-oxooxolan-2-yl]oct-2-en-4-yl] acetate is sourced from PubChem (CID 163033176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).