(6E,10E,14E,17S)-17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one

C25H38O3 — CID 11349694

IUPAC(6E,10E,14E,17S)-17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one
SMILESC/C(=C\CC/C(C)=C/C[C@H](O)c1ccoc1)CC/C=C(\C)CC(=O)CC(C)C
InChIInChI=1S/C25H38O3/c1-19(2)16-24(26)17-22(5)11-7-9-20(3)8-6-10-21(4)12-13-25(27)23-14-15-28-18-23/h8,11-12,14-15,18-19,25,27H,6-7,9-10,13,16-17H2,1-5H3/b20-8+,21-12+,22-11+/t25-/m0/s1
InChIKeyUZXKOVIRYVHQGU-PGMCJAAPSA-N
MW386.58 g/mol
LogP7.11
Rot. Bonds13

About (6E,10E,14E,17S)-17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one

(6E,10E,14E,17S)-17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one (PubChem CID 11349694) has the molecular formula C25H38O3 and a molecular weight of 386.58 g/mol. Its IUPAC name is (6E,10E,14E,17S)-17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one.

Molecular Properties

Compound Name(6E,10E,14E,17S)-17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one
PubChem CID11349694
Molecular FormulaC25H38O3
Molecular Weight386.58 g/mol
Exact Mass386.28
IUPAC Name(6E,10E,14E,17S)-17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one
SMILESC/C(=C\CC/C(C)=C/C[C@H](O)c1ccoc1)CC/C=C(\C)CC(=O)CC(C)C
InChIInChI=1S/C25H38O3/c1-19(2)16-24(26)17-22(5)11-7-9-20(3)8-6-10-21(4)12-13-25(27)23-14-15-28-18-23/h8,11-12,14-15,18-19,25,27H,6-7,9-10,13,16-17H2,1-5H3/b20-8+,21-12+,22-11+/t25-/m0/s1
InChIKeyUZXKOVIRYVHQGU-PGMCJAAPSA-N
XLogP7.11
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6E,10E,14E,17S)-17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-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 (6E,10E,14E,17S)-17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one?
The IUPAC name of (6E,10E,14E,17S)-17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one (CID 11349694) is (6E,10E,14E,17S)-17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one.
What is the SMILES notation for (6E,10E,14E,17S)-17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one?
The canonical SMILES for (6E,10E,14E,17S)-17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one is C/C(=C\CC/C(C)=C/C[C@H](O)c1ccoc1)CC/C=C(\C)CC(=O)CC(C)C.
What is the InChIKey of (6E,10E,14E,17S)-17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one?
The InChIKey is UZXKOVIRYVHQGU-PGMCJAAPSA-N. The full InChI is InChI=1S/C25H38O3/c1-19(2)16-24(26)17-22(5)11-7-9-20(3)8-6-10-21(4)12-13-25(27)23-14-15-28-18-23/h8,11-12,14-15,18-19,25,27H,6-7,9-10,13,16-17H2,1-5H3/b20-8+,21-12+,22-11+/t25-/m0/s1.
What are the key properties of (6E,10E,14E,17S)-17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one?
(6E,10E,14E,17S)-17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one has a molecular weight of 386.58 g/mol, XLogP of 7.11, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14E,17S)-17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one is sourced from PubChem (CID 11349694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).