(4E,11R,12E,14E,16E)-6-hydroxy-5,9,11,17-tetramethylnonadeca-4,12,14,16-tetraene-2,8,10-trione

C23H34O4 — CID 167268145

IUPAC(4E,11R,12E,14E,16E)-6-hydroxy-5,9,11,17-tetramethylnonadeca-4,12,14,16-tetraene-2,8,10-trione
SMILESCC/C(C)=C/C=C/C=C/[C@@H](C)C(=O)C(C)C(=O)CC(O)/C(C)=C/CC(C)=O
InChIInChI=1S/C23H34O4/c1-7-16(2)11-9-8-10-12-18(4)23(27)20(6)22(26)15-21(25)17(3)13-14-19(5)24/h8-13,18,20-21,25H,7,14-15H2,1-6H3/b9-8+,12-10+,16-11+,17-13+/t18-,20?,21?/m1/s1
InChIKeyPOOYDWHXWVRROJ-IKWVCOIASA-N
MW374.52 g/mol
LogP4.54
Rot. Bonds12

About (4E,11R,12E,14E,16E)-6-hydroxy-5,9,11,17-tetramethylnonadeca-4,12,14,16-tetraene-2,8,10-trione

(4E,11R,12E,14E,16E)-6-hydroxy-5,9,11,17-tetramethylnonadeca-4,12,14,16-tetraene-2,8,10-trione (PubChem CID 167268145) has the molecular formula C23H34O4 and a molecular weight of 374.52 g/mol. Its IUPAC name is (4E,11R,12E,14E,16E)-6-hydroxy-5,9,11,17-tetramethylnonadeca-4,12,14,16-tetraene-2,8,10-trione.

Molecular Properties

Compound Name(4E,11R,12E,14E,16E)-6-hydroxy-5,9,11,17-tetramethylnonadeca-4,12,14,16-tetraene-2,8,10-trione
PubChem CID167268145
Molecular FormulaC23H34O4
Molecular Weight374.52 g/mol
Exact Mass374.25
IUPAC Name(4E,11R,12E,14E,16E)-6-hydroxy-5,9,11,17-tetramethylnonadeca-4,12,14,16-tetraene-2,8,10-trione
SMILESCC/C(C)=C/C=C/C=C/[C@@H](C)C(=O)C(C)C(=O)CC(O)/C(C)=C/CC(C)=O
InChIInChI=1S/C23H34O4/c1-7-16(2)11-9-8-10-12-18(4)23(27)20(6)22(26)15-21(25)17(3)13-14-19(5)24/h8-13,18,20-21,25H,7,14-15H2,1-6H3/b9-8+,12-10+,16-11+,17-13+/t18-,20?,21?/m1/s1
InChIKeyPOOYDWHXWVRROJ-IKWVCOIASA-N
XLogP4.54
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,11R,12E,14E,16E)-6-hydroxy-5,9,11,17-tetramethylnonadeca-4,12,14,16-tetraene-2,8,10-trione?
The IUPAC name of (4E,11R,12E,14E,16E)-6-hydroxy-5,9,11,17-tetramethylnonadeca-4,12,14,16-tetraene-2,8,10-trione (CID 167268145) is (4E,11R,12E,14E,16E)-6-hydroxy-5,9,11,17-tetramethylnonadeca-4,12,14,16-tetraene-2,8,10-trione.
What is the SMILES notation for (4E,11R,12E,14E,16E)-6-hydroxy-5,9,11,17-tetramethylnonadeca-4,12,14,16-tetraene-2,8,10-trione?
The canonical SMILES for (4E,11R,12E,14E,16E)-6-hydroxy-5,9,11,17-tetramethylnonadeca-4,12,14,16-tetraene-2,8,10-trione is CC/C(C)=C/C=C/C=C/[C@@H](C)C(=O)C(C)C(=O)CC(O)/C(C)=C/CC(C)=O.
What is the InChIKey of (4E,11R,12E,14E,16E)-6-hydroxy-5,9,11,17-tetramethylnonadeca-4,12,14,16-tetraene-2,8,10-trione?
The InChIKey is POOYDWHXWVRROJ-IKWVCOIASA-N. The full InChI is InChI=1S/C23H34O4/c1-7-16(2)11-9-8-10-12-18(4)23(27)20(6)22(26)15-21(25)17(3)13-14-19(5)24/h8-13,18,20-21,25H,7,14-15H2,1-6H3/b9-8+,12-10+,16-11+,17-13+/t18-,20?,21?/m1/s1.
What are the key properties of (4E,11R,12E,14E,16E)-6-hydroxy-5,9,11,17-tetramethylnonadeca-4,12,14,16-tetraene-2,8,10-trione?
(4E,11R,12E,14E,16E)-6-hydroxy-5,9,11,17-tetramethylnonadeca-4,12,14,16-tetraene-2,8,10-trione has a molecular weight of 374.52 g/mol, XLogP of 4.54, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,11R,12E,14E,16E)-6-hydroxy-5,9,11,17-tetramethylnonadeca-4,12,14,16-tetraene-2,8,10-trione is sourced from PubChem (CID 167268145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).