(2R)-4-ethyl-2-[(1E,5E,8E,10E)-6-ethyl-2,10,14-trimethylpentadeca-1,5,8,10,13-pentaenyl]-3-hydroxy-2H-furan-5-one

C26H38O3 — CID 163138307

IUPAC(2R)-4-ethyl-2-[(1E,5E,8E,10E)-6-ethyl-2,10,14-trimethylpentadeca-1,5,8,10,13-pentaenyl]-3-hydroxy-2H-furan-5-one
SMILESCCC1=C(O)[C@@H](/C=C(\C)CC/C=C(\CC)C/C=C/C(C)=C/CC=C(C)C)OC1=O
InChIInChI=1S/C26H38O3/c1-7-22(16-10-14-20(5)13-9-12-19(3)4)17-11-15-21(6)18-24-25(27)23(8-2)26(28)29-24/h10,12-14,17-18,24,27H,7-9,11,15-16H2,1-6H3/b14-10+,20-13+,21-18+,22-17+/t24-/m1/s1
InChIKeyIUZJXYHKYQYTQA-NDGKWNSESA-N
MW398.59 g/mol
LogP7.45
Rot. Bonds11

About (2R)-4-ethyl-2-[(1E,5E,8E,10E)-6-ethyl-2,10,14-trimethylpentadeca-1,5,8,10,13-pentaenyl]-3-hydroxy-2H-furan-5-one

(2R)-4-ethyl-2-[(1E,5E,8E,10E)-6-ethyl-2,10,14-trimethylpentadeca-1,5,8,10,13-pentaenyl]-3-hydroxy-2H-furan-5-one (PubChem CID 163138307) has the molecular formula C26H38O3 and a molecular weight of 398.59 g/mol. Its IUPAC name is (2R)-4-ethyl-2-[(1E,5E,8E,10E)-6-ethyl-2,10,14-trimethylpentadeca-1,5,8,10,13-pentaenyl]-3-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-ethyl-2-[(1E,5E,8E,10E)-6-ethyl-2,10,14-trimethylpentadeca-1,5,8,10,13-pentaenyl]-3-hydroxy-2H-furan-5-one
PubChem CID163138307
Molecular FormulaC26H38O3
Molecular Weight398.59 g/mol
Exact Mass398.28
IUPAC Name(2R)-4-ethyl-2-[(1E,5E,8E,10E)-6-ethyl-2,10,14-trimethylpentadeca-1,5,8,10,13-pentaenyl]-3-hydroxy-2H-furan-5-one
SMILESCCC1=C(O)[C@@H](/C=C(\C)CC/C=C(\CC)C/C=C/C(C)=C/CC=C(C)C)OC1=O
InChIInChI=1S/C26H38O3/c1-7-22(16-10-14-20(5)13-9-12-19(3)4)17-11-15-21(6)18-24-25(27)23(8-2)26(28)29-24/h10,12-14,17-18,24,27H,7-9,11,15-16H2,1-6H3/b14-10+,20-13+,21-18+,22-17+/t24-/m1/s1
InChIKeyIUZJXYHKYQYTQA-NDGKWNSESA-N
XLogP7.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.59
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-4-ethyl-2-[(1E,5E,8E,10E)-6-ethyl-2,10,14-trimethylpentadeca-1,5,8,10,13-pentaenyl]-3-hydroxy-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-4-ethyl-2-[(1E,5E,8E,10E)-6-ethyl-2,10,14-trimethylpentadeca-1,5,8,10,13-pentaenyl]-3-hydroxy-2H-furan-5-one?
The IUPAC name of (2R)-4-ethyl-2-[(1E,5E,8E,10E)-6-ethyl-2,10,14-trimethylpentadeca-1,5,8,10,13-pentaenyl]-3-hydroxy-2H-furan-5-one (CID 163138307) is (2R)-4-ethyl-2-[(1E,5E,8E,10E)-6-ethyl-2,10,14-trimethylpentadeca-1,5,8,10,13-pentaenyl]-3-hydroxy-2H-furan-5-one.
What is the SMILES notation for (2R)-4-ethyl-2-[(1E,5E,8E,10E)-6-ethyl-2,10,14-trimethylpentadeca-1,5,8,10,13-pentaenyl]-3-hydroxy-2H-furan-5-one?
The canonical SMILES for (2R)-4-ethyl-2-[(1E,5E,8E,10E)-6-ethyl-2,10,14-trimethylpentadeca-1,5,8,10,13-pentaenyl]-3-hydroxy-2H-furan-5-one is CCC1=C(O)[C@@H](/C=C(\C)CC/C=C(\CC)C/C=C/C(C)=C/CC=C(C)C)OC1=O.
What is the InChIKey of (2R)-4-ethyl-2-[(1E,5E,8E,10E)-6-ethyl-2,10,14-trimethylpentadeca-1,5,8,10,13-pentaenyl]-3-hydroxy-2H-furan-5-one?
The InChIKey is IUZJXYHKYQYTQA-NDGKWNSESA-N. The full InChI is InChI=1S/C26H38O3/c1-7-22(16-10-14-20(5)13-9-12-19(3)4)17-11-15-21(6)18-24-25(27)23(8-2)26(28)29-24/h10,12-14,17-18,24,27H,7-9,11,15-16H2,1-6H3/b14-10+,20-13+,21-18+,22-17+/t24-/m1/s1.
What are the key properties of (2R)-4-ethyl-2-[(1E,5E,8E,10E)-6-ethyl-2,10,14-trimethylpentadeca-1,5,8,10,13-pentaenyl]-3-hydroxy-2H-furan-5-one?
(2R)-4-ethyl-2-[(1E,5E,8E,10E)-6-ethyl-2,10,14-trimethylpentadeca-1,5,8,10,13-pentaenyl]-3-hydroxy-2H-furan-5-one has a molecular weight of 398.59 g/mol, XLogP of 7.45, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-ethyl-2-[(1E,5E,8E,10E)-6-ethyl-2,10,14-trimethylpentadeca-1,5,8,10,13-pentaenyl]-3-hydroxy-2H-furan-5-one is sourced from PubChem (CID 163138307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).