(3Z,5E,8E,10E,12E,14Z,20Z,22E,24E,27E,29Z)-3,15,20,30-tetramethyldotriaconta-3,5,8,10,12,14,20,22,24,27,29-undecaen-1,16,18,31-tetrayne-7,26-dione

C36H32O2 — CID 10345746

IUPAC(3Z,5E,8E,10E,12E,14Z,20Z,22E,24E,27E,29Z)-3,15,20,30-tetramethyldotriaconta-3,5,8,10,12,14,20,22,24,27,29-undecaen-1,16,18,31-tetrayne-7,26-dione
SMILESC#C/C(C)=C\C=C\C(=O)/C=C/C=C/C=C(/C)C#CC#C/C(C)=C\C=C\C=C\C=C\C(=O)/C=C/C=C(/C)C#C
InChIInChI=1S/C36H32O2/c1-7-31(3)25-19-29-35(37)27-15-11-9-10-13-21-33(5)23-17-18-24-34(6)22-14-12-16-28-36(38)30-20-26-32(4)8-2/h1-2,9-16,19-22,25-30H,3-6H3/b11-9+,13-10+,14-12+,27-15+,28-16+,29-19+,30-20+,31-25-,32-26-,33-21-,34-22-
InChIKeySPMDBDODEFMWBJ-GTPZPQCCSA-N
MW496.65 g/mol
LogP7.08
Rot. Bonds11

About (3Z,5E,8E,10E,12E,14Z,20Z,22E,24E,27E,29Z)-3,15,20,30-tetramethyldotriaconta-3,5,8,10,12,14,20,22,24,27,29-undecaen-1,16,18,31-tetrayne-7,26-dione

(3Z,5E,8E,10E,12E,14Z,20Z,22E,24E,27E,29Z)-3,15,20,30-tetramethyldotriaconta-3,5,8,10,12,14,20,22,24,27,29-undecaen-1,16,18,31-tetrayne-7,26-dione (PubChem CID 10345746) has the molecular formula C36H32O2 and a molecular weight of 496.65 g/mol. Its IUPAC name is (3Z,5E,8E,10E,12E,14Z,20Z,22E,24E,27E,29Z)-3,15,20,30-tetramethyldotriaconta-3,5,8,10,12,14,20,22,24,27,29-undecaen-1,16,18,31-tetrayne-7,26-dione.

Molecular Properties

Compound Name(3Z,5E,8E,10E,12E,14Z,20Z,22E,24E,27E,29Z)-3,15,20,30-tetramethyldotriaconta-3,5,8,10,12,14,20,22,24,27,29-undecaen-1,16,18,31-tetrayne-7,26-dione
PubChem CID10345746
Molecular FormulaC36H32O2
Molecular Weight496.65 g/mol
Exact Mass496.24
IUPAC Name(3Z,5E,8E,10E,12E,14Z,20Z,22E,24E,27E,29Z)-3,15,20,30-tetramethyldotriaconta-3,5,8,10,12,14,20,22,24,27,29-undecaen-1,16,18,31-tetrayne-7,26-dione
SMILESC#C/C(C)=C\C=C\C(=O)/C=C/C=C/C=C(/C)C#CC#C/C(C)=C\C=C\C=C\C=C\C(=O)/C=C/C=C(/C)C#C
InChIInChI=1S/C36H32O2/c1-7-31(3)25-19-29-35(37)27-15-11-9-10-13-21-33(5)23-17-18-24-34(6)22-14-12-16-28-36(38)30-20-26-32(4)8-2/h1-2,9-16,19-22,25-30H,3-6H3/b11-9+,13-10+,14-12+,27-15+,28-16+,29-19+,30-20+,31-25-,32-26-,33-21-,34-22-
InChIKeySPMDBDODEFMWBJ-GTPZPQCCSA-N
XLogP7.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.65
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (3Z,5E,8E,10E,12E,14Z,20Z,22E,24E,27E,29Z)-3,15,20,30-tetramethyldotriaconta-3,5,8,10,12,14,20,22,24,27,29-undecaen-1,16,18,31-tetrayne-7,26-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E,8E,10E,12E,14Z,20Z,22E,24E,27E,29Z)-3,15,20,30-tetramethyldotriaconta-3,5,8,10,12,14,20,22,24,27,29-undecaen-1,16,18,31-tetrayne-7,26-dione?
The IUPAC name of (3Z,5E,8E,10E,12E,14Z,20Z,22E,24E,27E,29Z)-3,15,20,30-tetramethyldotriaconta-3,5,8,10,12,14,20,22,24,27,29-undecaen-1,16,18,31-tetrayne-7,26-dione (CID 10345746) is (3Z,5E,8E,10E,12E,14Z,20Z,22E,24E,27E,29Z)-3,15,20,30-tetramethyldotriaconta-3,5,8,10,12,14,20,22,24,27,29-undecaen-1,16,18,31-tetrayne-7,26-dione.
What is the SMILES notation for (3Z,5E,8E,10E,12E,14Z,20Z,22E,24E,27E,29Z)-3,15,20,30-tetramethyldotriaconta-3,5,8,10,12,14,20,22,24,27,29-undecaen-1,16,18,31-tetrayne-7,26-dione?
The canonical SMILES for (3Z,5E,8E,10E,12E,14Z,20Z,22E,24E,27E,29Z)-3,15,20,30-tetramethyldotriaconta-3,5,8,10,12,14,20,22,24,27,29-undecaen-1,16,18,31-tetrayne-7,26-dione is C#C/C(C)=C\C=C\C(=O)/C=C/C=C/C=C(/C)C#CC#C/C(C)=C\C=C\C=C\C=C\C(=O)/C=C/C=C(/C)C#C.
What is the InChIKey of (3Z,5E,8E,10E,12E,14Z,20Z,22E,24E,27E,29Z)-3,15,20,30-tetramethyldotriaconta-3,5,8,10,12,14,20,22,24,27,29-undecaen-1,16,18,31-tetrayne-7,26-dione?
The InChIKey is SPMDBDODEFMWBJ-GTPZPQCCSA-N. The full InChI is InChI=1S/C36H32O2/c1-7-31(3)25-19-29-35(37)27-15-11-9-10-13-21-33(5)23-17-18-24-34(6)22-14-12-16-28-36(38)30-20-26-32(4)8-2/h1-2,9-16,19-22,25-30H,3-6H3/b11-9+,13-10+,14-12+,27-15+,28-16+,29-19+,30-20+,31-25-,32-26-,33-21-,34-22-.
What are the key properties of (3Z,5E,8E,10E,12E,14Z,20Z,22E,24E,27E,29Z)-3,15,20,30-tetramethyldotriaconta-3,5,8,10,12,14,20,22,24,27,29-undecaen-1,16,18,31-tetrayne-7,26-dione?
(3Z,5E,8E,10E,12E,14Z,20Z,22E,24E,27E,29Z)-3,15,20,30-tetramethyldotriaconta-3,5,8,10,12,14,20,22,24,27,29-undecaen-1,16,18,31-tetrayne-7,26-dione has a molecular weight of 496.65 g/mol, XLogP of 7.08, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,8E,10E,12E,14Z,20Z,22E,24E,27E,29Z)-3,15,20,30-tetramethyldotriaconta-3,5,8,10,12,14,20,22,24,27,29-undecaen-1,16,18,31-tetrayne-7,26-dione is sourced from PubChem (CID 10345746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).