(5R)-5-[(1S,2E,4Z,8R)-1,8-dihydroxydeca-2,4-dienyl]oxolan-2-one

C14H22O4 — CID 156581743

IUPAC(5R)-5-[(1S,2E,4Z,8R)-1,8-dihydroxydeca-2,4-dienyl]oxolan-2-one
SMILESCC[C@@H](O)CC/C=C\C=C\[C@H](O)[C@H]1CCC(=O)O1
InChIInChI=1S/C14H22O4/c1-2-11(15)7-5-3-4-6-8-12(16)13-9-10-14(17)18-13/h3-4,6,8,11-13,15-16H,2,5,7,9-10H2,1H3/b4-3-,8-6+/t11-,12+,13-/m1/s1
InChIKeyMCOVUDBVHLCDBW-JNIPPHOLSA-N
MW254.33 g/mol
LogP1.72
Rot. Bonds7

About (5R)-5-[(1S,2E,4Z,8R)-1,8-dihydroxydeca-2,4-dienyl]oxolan-2-one

(5R)-5-[(1S,2E,4Z,8R)-1,8-dihydroxydeca-2,4-dienyl]oxolan-2-one (PubChem CID 156581743) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is (5R)-5-[(1S,2E,4Z,8R)-1,8-dihydroxydeca-2,4-dienyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(1S,2E,4Z,8R)-1,8-dihydroxydeca-2,4-dienyl]oxolan-2-one
PubChem CID156581743
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name(5R)-5-[(1S,2E,4Z,8R)-1,8-dihydroxydeca-2,4-dienyl]oxolan-2-one
SMILESCC[C@@H](O)CC/C=C\C=C\[C@H](O)[C@H]1CCC(=O)O1
InChIInChI=1S/C14H22O4/c1-2-11(15)7-5-3-4-6-8-12(16)13-9-10-14(17)18-13/h3-4,6,8,11-13,15-16H,2,5,7,9-10H2,1H3/b4-3-,8-6+/t11-,12+,13-/m1/s1
InChIKeyMCOVUDBVHLCDBW-JNIPPHOLSA-N
XLogP1.72
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
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-[(1S,2E,4Z,8R)-1,8-dihydroxydeca-2,4-dienyl]oxolan-2-one?
The IUPAC name of (5R)-5-[(1S,2E,4Z,8R)-1,8-dihydroxydeca-2,4-dienyl]oxolan-2-one (CID 156581743) is (5R)-5-[(1S,2E,4Z,8R)-1,8-dihydroxydeca-2,4-dienyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(1S,2E,4Z,8R)-1,8-dihydroxydeca-2,4-dienyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(1S,2E,4Z,8R)-1,8-dihydroxydeca-2,4-dienyl]oxolan-2-one is CC[C@@H](O)CC/C=C\C=C\[C@H](O)[C@H]1CCC(=O)O1.
What is the InChIKey of (5R)-5-[(1S,2E,4Z,8R)-1,8-dihydroxydeca-2,4-dienyl]oxolan-2-one?
The InChIKey is MCOVUDBVHLCDBW-JNIPPHOLSA-N. The full InChI is InChI=1S/C14H22O4/c1-2-11(15)7-5-3-4-6-8-12(16)13-9-10-14(17)18-13/h3-4,6,8,11-13,15-16H,2,5,7,9-10H2,1H3/b4-3-,8-6+/t11-,12+,13-/m1/s1.
What are the key properties of (5R)-5-[(1S,2E,4Z,8R)-1,8-dihydroxydeca-2,4-dienyl]oxolan-2-one?
(5R)-5-[(1S,2E,4Z,8R)-1,8-dihydroxydeca-2,4-dienyl]oxolan-2-one has a molecular weight of 254.33 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S,2E,4Z,8R)-1,8-dihydroxydeca-2,4-dienyl]oxolan-2-one is sourced from PubChem (CID 156581743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).