(5R)-5-[(1R,2Z,4E)-1-(4-methoxyphenoxy)hexa-2,4-dienyl]oxolan-2-one

C17H20O4 — CID 102186934

IUPAC(5R)-5-[(1R,2Z,4E)-1-(4-methoxyphenoxy)hexa-2,4-dienyl]oxolan-2-one
SMILESC/C=C/C=C\[C@@H](Oc1ccc(OC)cc1)[C@H]1CCC(=O)O1
InChIInChI=1S/C17H20O4/c1-3-4-5-6-15(16-11-12-17(18)21-16)20-14-9-7-13(19-2)8-10-14/h3-10,15-16H,11-12H2,1-2H3/b4-3+,6-5-/t15-,16-/m1/s1
InChIKeyFBCBZLPVCDTUQW-SVJGFXEFSA-N
MW288.34 g/mol
LogP3.28
Rot. Bonds6

About (5R)-5-[(1R,2Z,4E)-1-(4-methoxyphenoxy)hexa-2,4-dienyl]oxolan-2-one

(5R)-5-[(1R,2Z,4E)-1-(4-methoxyphenoxy)hexa-2,4-dienyl]oxolan-2-one (PubChem CID 102186934) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is (5R)-5-[(1R,2Z,4E)-1-(4-methoxyphenoxy)hexa-2,4-dienyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(1R,2Z,4E)-1-(4-methoxyphenoxy)hexa-2,4-dienyl]oxolan-2-one
PubChem CID102186934
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name(5R)-5-[(1R,2Z,4E)-1-(4-methoxyphenoxy)hexa-2,4-dienyl]oxolan-2-one
SMILESC/C=C/C=C\[C@@H](Oc1ccc(OC)cc1)[C@H]1CCC(=O)O1
InChIInChI=1S/C17H20O4/c1-3-4-5-6-15(16-11-12-17(18)21-16)20-14-9-7-13(19-2)8-10-14/h3-10,15-16H,11-12H2,1-2H3/b4-3+,6-5-/t15-,16-/m1/s1
InChIKeyFBCBZLPVCDTUQW-SVJGFXEFSA-N
XLogP3.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1R,2Z,4E)-1-(4-methoxyphenoxy)hexa-2,4-dienyl]oxolan-2-one?
The IUPAC name of (5R)-5-[(1R,2Z,4E)-1-(4-methoxyphenoxy)hexa-2,4-dienyl]oxolan-2-one (CID 102186934) is (5R)-5-[(1R,2Z,4E)-1-(4-methoxyphenoxy)hexa-2,4-dienyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(1R,2Z,4E)-1-(4-methoxyphenoxy)hexa-2,4-dienyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(1R,2Z,4E)-1-(4-methoxyphenoxy)hexa-2,4-dienyl]oxolan-2-one is C/C=C/C=C\[C@@H](Oc1ccc(OC)cc1)[C@H]1CCC(=O)O1.
What is the InChIKey of (5R)-5-[(1R,2Z,4E)-1-(4-methoxyphenoxy)hexa-2,4-dienyl]oxolan-2-one?
The InChIKey is FBCBZLPVCDTUQW-SVJGFXEFSA-N. The full InChI is InChI=1S/C17H20O4/c1-3-4-5-6-15(16-11-12-17(18)21-16)20-14-9-7-13(19-2)8-10-14/h3-10,15-16H,11-12H2,1-2H3/b4-3+,6-5-/t15-,16-/m1/s1.
What are the key properties of (5R)-5-[(1R,2Z,4E)-1-(4-methoxyphenoxy)hexa-2,4-dienyl]oxolan-2-one?
(5R)-5-[(1R,2Z,4E)-1-(4-methoxyphenoxy)hexa-2,4-dienyl]oxolan-2-one has a molecular weight of 288.34 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1R,2Z,4E)-1-(4-methoxyphenoxy)hexa-2,4-dienyl]oxolan-2-one is sourced from PubChem (CID 102186934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).