4-[(15Z,19Z)-11,12-dihydroxydotriaconta-15,19-dienyl]-2-methyl-2H-furan-5-one

C37H66O4 — CID 131750907

IUPAC4-[(15Z,19Z)-11,12-dihydroxydotriaconta-15,19-dienyl]-2-methyl-2H-furan-5-one
SMILESCCCCCCCCCCCC/C=C\CC/C=C\CCC(O)C(O)CCCCCCCCCCC1=CC(C)OC1=O
InChIInChI=1S/C37H66O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-35(38)36(39)31-28-25-22-19-18-20-23-26-29-34-32-33(2)41-37(34)40/h14-15,21,24,32-33,35-36,38-39H,3-13,16-20,22-23,25-31H2,1-2H3/b15-14-,24-21-
InChIKeyULFROYYCMRNCTL-ACNZRUBCSA-N
MW574.93 g/mol
LogP10.46
Rot. Bonds29

About 4-[(15Z,19Z)-11,12-dihydroxydotriaconta-15,19-dienyl]-2-methyl-2H-furan-5-one

4-[(15Z,19Z)-11,12-dihydroxydotriaconta-15,19-dienyl]-2-methyl-2H-furan-5-one (PubChem CID 131750907) has the molecular formula C37H66O4 and a molecular weight of 574.93 g/mol. Its IUPAC name is 4-[(15Z,19Z)-11,12-dihydroxydotriaconta-15,19-dienyl]-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name4-[(15Z,19Z)-11,12-dihydroxydotriaconta-15,19-dienyl]-2-methyl-2H-furan-5-one
PubChem CID131750907
Molecular FormulaC37H66O4
Molecular Weight574.93 g/mol
Exact Mass574.50
IUPAC Name4-[(15Z,19Z)-11,12-dihydroxydotriaconta-15,19-dienyl]-2-methyl-2H-furan-5-one
SMILESCCCCCCCCCCCC/C=C\CC/C=C\CCC(O)C(O)CCCCCCCCCCC1=CC(C)OC1=O
InChIInChI=1S/C37H66O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-35(38)36(39)31-28-25-22-19-18-20-23-26-29-34-32-33(2)41-37(34)40/h14-15,21,24,32-33,35-36,38-39H,3-13,16-20,22-23,25-31H2,1-2H3/b15-14-,24-21-
InChIKeyULFROYYCMRNCTL-ACNZRUBCSA-N
XLogP10.46
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds29
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.93
LogP ≤ 510.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(15Z,19Z)-11,12-dihydroxydotriaconta-15,19-dienyl]-2-methyl-2H-furan-5-one with MolForge

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Related Compounds

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Chamuvarinin
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Desacetyluvaricin
CID 127149
3-{2,11-Dihydroxy-11-[5''-(1-hydroxy-undecyl)-octahydro-[2,2'']bifuranyl-5-yl]-undecyl}-5-methyl-5H-furan-2-one(Rollimembrin)
CID 9873339

Frequently Asked Questions

What is the IUPAC name of 4-[(15Z,19Z)-11,12-dihydroxydotriaconta-15,19-dienyl]-2-methyl-2H-furan-5-one?
The IUPAC name of 4-[(15Z,19Z)-11,12-dihydroxydotriaconta-15,19-dienyl]-2-methyl-2H-furan-5-one (CID 131750907) is 4-[(15Z,19Z)-11,12-dihydroxydotriaconta-15,19-dienyl]-2-methyl-2H-furan-5-one.
What is the SMILES notation for 4-[(15Z,19Z)-11,12-dihydroxydotriaconta-15,19-dienyl]-2-methyl-2H-furan-5-one?
The canonical SMILES for 4-[(15Z,19Z)-11,12-dihydroxydotriaconta-15,19-dienyl]-2-methyl-2H-furan-5-one is CCCCCCCCCCCC/C=C\CC/C=C\CCC(O)C(O)CCCCCCCCCCC1=CC(C)OC1=O.
What is the InChIKey of 4-[(15Z,19Z)-11,12-dihydroxydotriaconta-15,19-dienyl]-2-methyl-2H-furan-5-one?
The InChIKey is ULFROYYCMRNCTL-ACNZRUBCSA-N. The full InChI is InChI=1S/C37H66O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-35(38)36(39)31-28-25-22-19-18-20-23-26-29-34-32-33(2)41-37(34)40/h14-15,21,24,32-33,35-36,38-39H,3-13,16-20,22-23,25-31H2,1-2H3/b15-14-,24-21-.
What are the key properties of 4-[(15Z,19Z)-11,12-dihydroxydotriaconta-15,19-dienyl]-2-methyl-2H-furan-5-one?
4-[(15Z,19Z)-11,12-dihydroxydotriaconta-15,19-dienyl]-2-methyl-2H-furan-5-one has a molecular weight of 574.93 g/mol, XLogP of 10.46, 29 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(15Z,19Z)-11,12-dihydroxydotriaconta-15,19-dienyl]-2-methyl-2H-furan-5-one is sourced from PubChem (CID 131750907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).