5-[11-(furan-3-yl)-1-hydroxy-6-methoxy-4,8-dimethylundeca-4,8-dienyl]-5-methyloxolan-2-one

C23H34O5 — CID 75045987

IUPAC5-[11-(furan-3-yl)-1-hydroxy-6-methoxy-4,8-dimethylundeca-4,8-dienyl]-5-methyloxolan-2-one
SMILESCOC(C=C(C)CCC(O)C1(C)CCC(=O)O1)CC(C)=CCCc1ccoc1
InChIInChI=1S/C23H34O5/c1-17(6-5-7-19-11-13-27-16-19)14-20(26-4)15-18(2)8-9-21(24)23(3)12-10-22(25)28-23/h6,11,13,15-16,20-21,24H,5,7-10,12,14H2,1-4H3
InChIKeyFADWJOIQAFPMNE-UHFFFAOYSA-N
MW390.52 g/mol
LogP4.75
Rot. Bonds11

About 5-[11-(furan-3-yl)-1-hydroxy-6-methoxy-4,8-dimethylundeca-4,8-dienyl]-5-methyloxolan-2-one

5-[11-(furan-3-yl)-1-hydroxy-6-methoxy-4,8-dimethylundeca-4,8-dienyl]-5-methyloxolan-2-one (PubChem CID 75045987) has the molecular formula C23H34O5 and a molecular weight of 390.52 g/mol. Its IUPAC name is 5-[11-(furan-3-yl)-1-hydroxy-6-methoxy-4,8-dimethylundeca-4,8-dienyl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-[11-(furan-3-yl)-1-hydroxy-6-methoxy-4,8-dimethylundeca-4,8-dienyl]-5-methyloxolan-2-one
PubChem CID75045987
Molecular FormulaC23H34O5
Molecular Weight390.52 g/mol
Exact Mass390.24
IUPAC Name5-[11-(furan-3-yl)-1-hydroxy-6-methoxy-4,8-dimethylundeca-4,8-dienyl]-5-methyloxolan-2-one
SMILESCOC(C=C(C)CCC(O)C1(C)CCC(=O)O1)CC(C)=CCCc1ccoc1
InChIInChI=1S/C23H34O5/c1-17(6-5-7-19-11-13-27-16-19)14-20(26-4)15-18(2)8-9-21(24)23(3)12-10-22(25)28-23/h6,11,13,15-16,20-21,24H,5,7-10,12,14H2,1-4H3
InChIKeyFADWJOIQAFPMNE-UHFFFAOYSA-N
XLogP4.75
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5-[11-(furan-3-yl)-1-hydroxy-6-methoxy-4,8-dimethylundeca-4,8-dienyl]-5-methyloxolan-2-one?
The IUPAC name of 5-[11-(furan-3-yl)-1-hydroxy-6-methoxy-4,8-dimethylundeca-4,8-dienyl]-5-methyloxolan-2-one (CID 75045987) is 5-[11-(furan-3-yl)-1-hydroxy-6-methoxy-4,8-dimethylundeca-4,8-dienyl]-5-methyloxolan-2-one.
What is the SMILES notation for 5-[11-(furan-3-yl)-1-hydroxy-6-methoxy-4,8-dimethylundeca-4,8-dienyl]-5-methyloxolan-2-one?
The canonical SMILES for 5-[11-(furan-3-yl)-1-hydroxy-6-methoxy-4,8-dimethylundeca-4,8-dienyl]-5-methyloxolan-2-one is COC(C=C(C)CCC(O)C1(C)CCC(=O)O1)CC(C)=CCCc1ccoc1.
What is the InChIKey of 5-[11-(furan-3-yl)-1-hydroxy-6-methoxy-4,8-dimethylundeca-4,8-dienyl]-5-methyloxolan-2-one?
The InChIKey is FADWJOIQAFPMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O5/c1-17(6-5-7-19-11-13-27-16-19)14-20(26-4)15-18(2)8-9-21(24)23(3)12-10-22(25)28-23/h6,11,13,15-16,20-21,24H,5,7-10,12,14H2,1-4H3.
What are the key properties of 5-[11-(furan-3-yl)-1-hydroxy-6-methoxy-4,8-dimethylundeca-4,8-dienyl]-5-methyloxolan-2-one?
5-[11-(furan-3-yl)-1-hydroxy-6-methoxy-4,8-dimethylundeca-4,8-dienyl]-5-methyloxolan-2-one has a molecular weight of 390.52 g/mol, XLogP of 4.75, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[11-(furan-3-yl)-1-hydroxy-6-methoxy-4,8-dimethylundeca-4,8-dienyl]-5-methyloxolan-2-one is sourced from PubChem (CID 75045987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).