(5R)-5-[(Z)-3-[(1S,2R)-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]prop-1-enyl]oxolan-2-one

C20H28O3 — CID 5283237

IUPAC(5R)-5-[(Z)-3-[(1S,2R)-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]prop-1-enyl]oxolan-2-one
SMILESCCCCC/C=C\C[C@@H]1C=CC(=O)[C@H]1C/C=C\[C@H]1CCC(=O)O1
InChIInChI=1S/C20H28O3/c1-2-3-4-5-6-7-9-16-12-14-19(21)18(16)11-8-10-17-13-15-20(22)23-17/h6-8,10,12,14,16-18H,2-5,9,11,13,15H2,1H3/b7-6-,10-8-/t16-,17+,18+/m1/s1
InChIKeyIOEBLBXUQYAOAK-IKNFVWKPSA-N
MW316.44 g/mol
LogP4.54
Rot. Bonds9

About (5R)-5-[(Z)-3-[(1S,2R)-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]prop-1-enyl]oxolan-2-one

(5R)-5-[(Z)-3-[(1S,2R)-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]prop-1-enyl]oxolan-2-one (PubChem CID 5283237) has the molecular formula C20H28O3 and a molecular weight of 316.44 g/mol. Its IUPAC name is (5R)-5-[(Z)-3-[(1S,2R)-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]prop-1-enyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(Z)-3-[(1S,2R)-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]prop-1-enyl]oxolan-2-one
PubChem CID5283237
Molecular FormulaC20H28O3
Molecular Weight316.44 g/mol
Exact Mass316.20
IUPAC Name(5R)-5-[(Z)-3-[(1S,2R)-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]prop-1-enyl]oxolan-2-one
SMILESCCCCC/C=C\C[C@@H]1C=CC(=O)[C@H]1C/C=C\[C@H]1CCC(=O)O1
InChIInChI=1S/C20H28O3/c1-2-3-4-5-6-7-9-16-12-14-19(21)18(16)11-8-10-17-13-15-20(22)23-17/h6-8,10,12,14,16-18H,2-5,9,11,13,15H2,1H3/b7-6-,10-8-/t16-,17+,18+/m1/s1
InChIKeyIOEBLBXUQYAOAK-IKNFVWKPSA-N
XLogP4.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(Z)-3-[(1S,2R)-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]prop-1-enyl]oxolan-2-one?
The IUPAC name of (5R)-5-[(Z)-3-[(1S,2R)-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]prop-1-enyl]oxolan-2-one (CID 5283237) is (5R)-5-[(Z)-3-[(1S,2R)-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]prop-1-enyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(Z)-3-[(1S,2R)-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]prop-1-enyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(Z)-3-[(1S,2R)-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]prop-1-enyl]oxolan-2-one is CCCCC/C=C\C[C@@H]1C=CC(=O)[C@H]1C/C=C\[C@H]1CCC(=O)O1.
What is the InChIKey of (5R)-5-[(Z)-3-[(1S,2R)-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]prop-1-enyl]oxolan-2-one?
The InChIKey is IOEBLBXUQYAOAK-IKNFVWKPSA-N. The full InChI is InChI=1S/C20H28O3/c1-2-3-4-5-6-7-9-16-12-14-19(21)18(16)11-8-10-17-13-15-20(22)23-17/h6-8,10,12,14,16-18H,2-5,9,11,13,15H2,1H3/b7-6-,10-8-/t16-,17+,18+/m1/s1.
What are the key properties of (5R)-5-[(Z)-3-[(1S,2R)-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]prop-1-enyl]oxolan-2-one?
(5R)-5-[(Z)-3-[(1S,2R)-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]prop-1-enyl]oxolan-2-one has a molecular weight of 316.44 g/mol, XLogP of 4.54, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(Z)-3-[(1S,2R)-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]prop-1-enyl]oxolan-2-one is sourced from PubChem (CID 5283237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).