(2R)-4-[14-[(3S,4R,5R)-4-hydroxy-5-methyl-2-oxooxolan-3-yl]tetradecyl]-2-methyl-2H-furan-5-one

C24H40O5 — CID 10573520

IUPAC(2R)-4-[14-[(3S,4R,5R)-4-hydroxy-5-methyl-2-oxooxolan-3-yl]tetradecyl]-2-methyl-2H-furan-5-one
SMILESC[C@@H]1C=C(CCCCCCCCCCCCCC[C@@H]2C(=O)O[C@H](C)[C@@H]2O)C(=O)O1
InChIInChI=1S/C24H40O5/c1-18-17-20(23(26)28-18)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21-22(25)19(2)29-24(21)27/h17-19,21-22,25H,3-16H2,1-2H3/t18-,19-,21+,22+/m1/s1
InChIKeyVUIJDWDZUSJDNC-WKDRNLAYSA-N
MW408.58 g/mol
LogP5.24
Rot. Bonds15

About (2R)-4-[14-[(3S,4R,5R)-4-hydroxy-5-methyl-2-oxooxolan-3-yl]tetradecyl]-2-methyl-2H-furan-5-one

(2R)-4-[14-[(3S,4R,5R)-4-hydroxy-5-methyl-2-oxooxolan-3-yl]tetradecyl]-2-methyl-2H-furan-5-one (PubChem CID 10573520) has the molecular formula C24H40O5 and a molecular weight of 408.58 g/mol. Its IUPAC name is (2R)-4-[14-[(3S,4R,5R)-4-hydroxy-5-methyl-2-oxooxolan-3-yl]tetradecyl]-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-[14-[(3S,4R,5R)-4-hydroxy-5-methyl-2-oxooxolan-3-yl]tetradecyl]-2-methyl-2H-furan-5-one
PubChem CID10573520
Molecular FormulaC24H40O5
Molecular Weight408.58 g/mol
Exact Mass408.29
IUPAC Name(2R)-4-[14-[(3S,4R,5R)-4-hydroxy-5-methyl-2-oxooxolan-3-yl]tetradecyl]-2-methyl-2H-furan-5-one
SMILESC[C@@H]1C=C(CCCCCCCCCCCCCC[C@@H]2C(=O)O[C@H](C)[C@@H]2O)C(=O)O1
InChIInChI=1S/C24H40O5/c1-18-17-20(23(26)28-18)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21-22(25)19(2)29-24(21)27/h17-19,21-22,25H,3-16H2,1-2H3/t18-,19-,21+,22+/m1/s1
InChIKeyVUIJDWDZUSJDNC-WKDRNLAYSA-N
XLogP5.24
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.58
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[14-[(3S,4R,5R)-4-hydroxy-5-methyl-2-oxooxolan-3-yl]tetradecyl]-2-methyl-2H-furan-5-one?
The IUPAC name of (2R)-4-[14-[(3S,4R,5R)-4-hydroxy-5-methyl-2-oxooxolan-3-yl]tetradecyl]-2-methyl-2H-furan-5-one (CID 10573520) is (2R)-4-[14-[(3S,4R,5R)-4-hydroxy-5-methyl-2-oxooxolan-3-yl]tetradecyl]-2-methyl-2H-furan-5-one.
What is the SMILES notation for (2R)-4-[14-[(3S,4R,5R)-4-hydroxy-5-methyl-2-oxooxolan-3-yl]tetradecyl]-2-methyl-2H-furan-5-one?
The canonical SMILES for (2R)-4-[14-[(3S,4R,5R)-4-hydroxy-5-methyl-2-oxooxolan-3-yl]tetradecyl]-2-methyl-2H-furan-5-one is C[C@@H]1C=C(CCCCCCCCCCCCCC[C@@H]2C(=O)O[C@H](C)[C@@H]2O)C(=O)O1.
What is the InChIKey of (2R)-4-[14-[(3S,4R,5R)-4-hydroxy-5-methyl-2-oxooxolan-3-yl]tetradecyl]-2-methyl-2H-furan-5-one?
The InChIKey is VUIJDWDZUSJDNC-WKDRNLAYSA-N. The full InChI is InChI=1S/C24H40O5/c1-18-17-20(23(26)28-18)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21-22(25)19(2)29-24(21)27/h17-19,21-22,25H,3-16H2,1-2H3/t18-,19-,21+,22+/m1/s1.
What are the key properties of (2R)-4-[14-[(3S,4R,5R)-4-hydroxy-5-methyl-2-oxooxolan-3-yl]tetradecyl]-2-methyl-2H-furan-5-one?
(2R)-4-[14-[(3S,4R,5R)-4-hydroxy-5-methyl-2-oxooxolan-3-yl]tetradecyl]-2-methyl-2H-furan-5-one has a molecular weight of 408.58 g/mol, XLogP of 5.24, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[14-[(3S,4R,5R)-4-hydroxy-5-methyl-2-oxooxolan-3-yl]tetradecyl]-2-methyl-2H-furan-5-one is sourced from PubChem (CID 10573520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).