[(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (4Z,8E,12E,16E,20E,24Z,28E,32Z,36E)-5,9,13,17,21,25,29,33,37,41-decamethyldotetraconta-4,8,12,16,20,24,28,32,36,40-decaenoate

C72H122O2 — CID 24837759

About [(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (4Z,8E,12E,16E,20E,24Z,28E,32Z,36E)-5,9,13,17,21,25,29,33,37,41-decamethyldotetraconta-4,8,12,16,20,24,28,32,36,40-decaenoate

[(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (4Z,8E,12E,16E,20E,24Z,28E,32Z,36E)-5,9,13,17,21,25,29,33,37,41-decamethyldotetraconta-4,8,12,16,20,24,28,32,36,40-decaenoate (PubChem CID 24837759) has the molecular formula C72H122O2 and a molecular weight of 1019.77 g/mol. Its IUPAC name is [(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (4Z,8E,12E,16E,20E,24Z,28E,32Z,36E)-5,9,13,17,21,25,29,33,37,41-decamethyldotetraconta-4,8,12,16,20,24,28,32,36,40-decaenoate.

Molecular Properties

• Compound Name: [(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (4Z,8E,12E,16E,20E,24Z,28E,32Z,36E)-5,9,13,17,21,25,29,33,37,41-decamethyldotetraconta-4,8,12,16,20,24,28,32,36,40-decaenoate
• PubChem CID: 24837759
• Molecular Formula: C72H122O2
• Molecular Weight: 1019.77 g/mol
• Exact Mass: 1018.94
• IUPAC Name: [(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (4Z,8E,12E,16E,20E,24Z,28E,32Z,36E)-5,9,13,17,21,25,29,33,37,41-decamethyldotetraconta-4,8,12,16,20,24,28,32,36,40-decaenoate
• SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CCC(=O)OC/C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
• InChI: InChI=1S/C72H122O2/c1-58(2)30-17-32-60(5)34-19-36-62(7)38-21-39-63(8)40-22-41-64(9)42-23-43-65(10)44-24-45-66(11)46-25-47-67(12)48-26-49-68(13)50-27-51-70(15)54-29-55-72(73)74-57-56-71(16)53-28-52-69(14)37-20-35-61(6)33-18-31-59(3)4/h30,34,38,40,42,44,46,48,50,54,56,59,61,69H,17-29,31-33,35-37,39,41,43,45,47,49,51-53,55,57H2,1-16H3/b60-34+,62-38-,63-40+,64-42-,65-44+,66-46+,67-48+,68-50+,70-54-,71-56-/t61-,69-/m1/s1
• InChIKey: KXBWRICKGMAXKB-ARXFSUDDSA-N
• XLogP: 24.20
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 44
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1019.77
LogP ≤ 5	24.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (4Z,8E,12E,16E,20E,24Z,28E,32Z,36E)-5,9,13,17,21,25,29,33,37,41-decamethyldotetraconta-4,8,12,16,20,24,28,32,36,40-decaenoate?

The IUPAC name of [(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (4Z,8E,12E,16E,20E,24Z,28E,32Z,36E)-5,9,13,17,21,25,29,33,37,41-decamethyldotetraconta-4,8,12,16,20,24,28,32,36,40-decaenoate (CID 24837759) is [(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (4Z,8E,12E,16E,20E,24Z,28E,32Z,36E)-5,9,13,17,21,25,29,33,37,41-decamethyldotetraconta-4,8,12,16,20,24,28,32,36,40-decaenoate.

What is the SMILES notation for [(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (4Z,8E,12E,16E,20E,24Z,28E,32Z,36E)-5,9,13,17,21,25,29,33,37,41-decamethyldotetraconta-4,8,12,16,20,24,28,32,36,40-decaenoate?

The canonical SMILES for [(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (4Z,8E,12E,16E,20E,24Z,28E,32Z,36E)-5,9,13,17,21,25,29,33,37,41-decamethyldotetraconta-4,8,12,16,20,24,28,32,36,40-decaenoate is CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CCC(=O)OC/C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.

What is the InChIKey of [(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (4Z,8E,12E,16E,20E,24Z,28E,32Z,36E)-5,9,13,17,21,25,29,33,37,41-decamethyldotetraconta-4,8,12,16,20,24,28,32,36,40-decaenoate?

The InChIKey is KXBWRICKGMAXKB-ARXFSUDDSA-N. The full InChI is InChI=1S/C72H122O2/c1-58(2)30-17-32-60(5)34-19-36-62(7)38-21-39-63(8)40-22-41-64(9)42-23-43-65(10)44-24-45-66(11)46-25-47-67(12)48-26-49-68(13)50-27-51-70(15)54-29-55-72(73)74-57-56-71(16)53-28-52-69(14)37-20-35-61(6)33-18-31-59(3)4/h30,34,38,40,42,44,46,48,50,54,56,59,61,69H,17-29,31-33,35-37,39,41,43,45,47,49,51-53,55,57H2,1-16H3/b60-34+,62-38-,63-40+,64-42-,65-44+,66-46+,67-48+,68-50+,70-54-,71-56-/t61-,69-/m1/s1.

What are the key properties of [(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (4Z,8E,12E,16E,20E,24Z,28E,32Z,36E)-5,9,13,17,21,25,29,33,37,41-decamethyldotetraconta-4,8,12,16,20,24,28,32,36,40-decaenoate?

[(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (4Z,8E,12E,16E,20E,24Z,28E,32Z,36E)-5,9,13,17,21,25,29,33,37,41-decamethyldotetraconta-4,8,12,16,20,24,28,32,36,40-decaenoate has a molecular weight of 1019.77 g/mol, XLogP of 24.20, 44 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (4Z,8E,12E,16E,20E,24Z,28E,32Z,36E)-5,9,13,17,21,25,29,33,37,41-decamethyldotetraconta-4,8,12,16,20,24,28,32,36,40-decaenoate is sourced from PubChem (CID 24837759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).