(6E,10S,14E)-17-(furan-3-yl)-2,6,10,14-tetramethylheptadeca-6,14-diene-4,12-dione

C25H38O3 — CID 11280638

IUPAC(6E,10S,14E)-17-(furan-3-yl)-2,6,10,14-tetramethylheptadeca-6,14-diene-4,12-dione
SMILESC/C(=C\CC[C@H](C)CC(=O)C/C(C)=C/CCc1ccoc1)CC(=O)CC(C)C
InChIInChI=1S/C25H38O3/c1-19(2)14-24(26)15-20(3)8-6-9-21(4)16-25(27)17-22(5)10-7-11-23-12-13-28-18-23/h8,10,12-13,18-19,21H,6-7,9,11,14-17H2,1-5H3/b20-8+,22-10+/t21-/m0/s1
InChIKeySKUOPEHHKXBWPS-CRIKYYJDSA-N
MW386.58 g/mol
LogP6.88
Rot. Bonds14

About (6E,10S,14E)-17-(furan-3-yl)-2,6,10,14-tetramethylheptadeca-6,14-diene-4,12-dione

(6E,10S,14E)-17-(furan-3-yl)-2,6,10,14-tetramethylheptadeca-6,14-diene-4,12-dione (PubChem CID 11280638) has the molecular formula C25H38O3 and a molecular weight of 386.58 g/mol. Its IUPAC name is (6E,10S,14E)-17-(furan-3-yl)-2,6,10,14-tetramethylheptadeca-6,14-diene-4,12-dione.

Molecular Properties

Compound Name(6E,10S,14E)-17-(furan-3-yl)-2,6,10,14-tetramethylheptadeca-6,14-diene-4,12-dione
PubChem CID11280638
Molecular FormulaC25H38O3
Molecular Weight386.58 g/mol
Exact Mass386.28
IUPAC Name(6E,10S,14E)-17-(furan-3-yl)-2,6,10,14-tetramethylheptadeca-6,14-diene-4,12-dione
SMILESC/C(=C\CC[C@H](C)CC(=O)C/C(C)=C/CCc1ccoc1)CC(=O)CC(C)C
InChIInChI=1S/C25H38O3/c1-19(2)14-24(26)15-20(3)8-6-9-21(4)16-25(27)17-22(5)10-7-11-23-12-13-28-18-23/h8,10,12-13,18-19,21H,6-7,9,11,14-17H2,1-5H3/b20-8+,22-10+/t21-/m0/s1
InChIKeySKUOPEHHKXBWPS-CRIKYYJDSA-N
XLogP6.88
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (6E,10S,14E)-17-(furan-3-yl)-2,6,10,14-tetramethylheptadeca-6,14-diene-4,12-dione?
The IUPAC name of (6E,10S,14E)-17-(furan-3-yl)-2,6,10,14-tetramethylheptadeca-6,14-diene-4,12-dione (CID 11280638) is (6E,10S,14E)-17-(furan-3-yl)-2,6,10,14-tetramethylheptadeca-6,14-diene-4,12-dione.
What is the SMILES notation for (6E,10S,14E)-17-(furan-3-yl)-2,6,10,14-tetramethylheptadeca-6,14-diene-4,12-dione?
The canonical SMILES for (6E,10S,14E)-17-(furan-3-yl)-2,6,10,14-tetramethylheptadeca-6,14-diene-4,12-dione is C/C(=C\CC[C@H](C)CC(=O)C/C(C)=C/CCc1ccoc1)CC(=O)CC(C)C.
What is the InChIKey of (6E,10S,14E)-17-(furan-3-yl)-2,6,10,14-tetramethylheptadeca-6,14-diene-4,12-dione?
The InChIKey is SKUOPEHHKXBWPS-CRIKYYJDSA-N. The full InChI is InChI=1S/C25H38O3/c1-19(2)14-24(26)15-20(3)8-6-9-21(4)16-25(27)17-22(5)10-7-11-23-12-13-28-18-23/h8,10,12-13,18-19,21H,6-7,9,11,14-17H2,1-5H3/b20-8+,22-10+/t21-/m0/s1.
What are the key properties of (6E,10S,14E)-17-(furan-3-yl)-2,6,10,14-tetramethylheptadeca-6,14-diene-4,12-dione?
(6E,10S,14E)-17-(furan-3-yl)-2,6,10,14-tetramethylheptadeca-6,14-diene-4,12-dione has a molecular weight of 386.58 g/mol, XLogP of 6.88, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10S,14E)-17-(furan-3-yl)-2,6,10,14-tetramethylheptadeca-6,14-diene-4,12-dione is sourced from PubChem (CID 11280638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).