[(Z)-3,7,11,15-tetramethylhexadec-2-enyl] (Z)-5,9,13,17-tetramethyloctadec-4-enoate

C42H80O2 — CID 24840687

IUPAC[(Z)-3,7,11,15-tetramethylhexadec-2-enyl] (Z)-5,9,13,17-tetramethyloctadec-4-enoate
SMILESC/C(=C/CCC(=O)OC/C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C42H80O2/c1-34(2)18-11-20-36(5)22-13-24-38(7)26-15-27-40(9)30-17-31-42(43)44-33-32-41(10)29-16-28-39(8)25-14-23-37(6)21-12-19-35(3)4/h30,32,34-39H,11-29,31,33H2,1-10H3/b40-30-,41-32-
InChIKeyABARQJARKZPEOX-ATSQNPLFSA-N
MW617.10 g/mol
LogP14.08
Rot. Bonds29

About [(Z)-3,7,11,15-tetramethylhexadec-2-enyl] (Z)-5,9,13,17-tetramethyloctadec-4-enoate

[(Z)-3,7,11,15-tetramethylhexadec-2-enyl] (Z)-5,9,13,17-tetramethyloctadec-4-enoate (PubChem CID 24840687) has the molecular formula C42H80O2 and a molecular weight of 617.10 g/mol. Its IUPAC name is [(Z)-3,7,11,15-tetramethylhexadec-2-enyl] (Z)-5,9,13,17-tetramethyloctadec-4-enoate.

Molecular Properties

Compound Name[(Z)-3,7,11,15-tetramethylhexadec-2-enyl] (Z)-5,9,13,17-tetramethyloctadec-4-enoate
PubChem CID24840687
Molecular FormulaC42H80O2
Molecular Weight617.10 g/mol
Exact Mass616.62
IUPAC Name[(Z)-3,7,11,15-tetramethylhexadec-2-enyl] (Z)-5,9,13,17-tetramethyloctadec-4-enoate
SMILESC/C(=C/CCC(=O)OC/C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C42H80O2/c1-34(2)18-11-20-36(5)22-13-24-38(7)26-15-27-40(9)30-17-31-42(43)44-33-32-41(10)29-16-28-39(8)25-14-23-37(6)21-12-19-35(3)4/h30,32,34-39H,11-29,31,33H2,1-10H3/b40-30-,41-32-
InChIKeyABARQJARKZPEOX-ATSQNPLFSA-N
XLogP14.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.10
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(Z)-3,7,11,15-tetramethylhexadec-2-enyl] (Z)-5,9,13,17-tetramethyloctadec-4-enoate with MolForge

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Related Compounds

[(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
bis[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] decanedioate
CID 173326109
methyl (E,9R,13R)-5,9,13,17-tetramethyloctadec-4-enoate
CID 24840684
3,7,11,15-tetramethylhexadec-2-enyl tetracosanoate
CID 91533823
[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] prop-2-enoate
CID 139683375
[(E)-3,7,11,15-tetramethylhexadec-2-enyl] (9Z,12Z)-octadeca-9,12-dienoate
CID 20833825
(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one
CID 6272650
methyl 4,8,12,16-tetramethylheptadec-3-enoate
CID 86672626
[(3R,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl] (E)-5,9,13,17-tetramethyloctadec-4-enoate
CID 89051937
4-O-(4-tert-butylcyclohexyl) 1-O-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] butanedioate
CID 162364376
(6E)-8-methoxy-2,6-dimethylnona-2,6-diene;[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] acetate
CID 158258427
3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30-octaen-1-ol
CID 162895181

Frequently Asked Questions

What is the IUPAC name of [(Z)-3,7,11,15-tetramethylhexadec-2-enyl] (Z)-5,9,13,17-tetramethyloctadec-4-enoate?
The IUPAC name of [(Z)-3,7,11,15-tetramethylhexadec-2-enyl] (Z)-5,9,13,17-tetramethyloctadec-4-enoate (CID 24840687) is [(Z)-3,7,11,15-tetramethylhexadec-2-enyl] (Z)-5,9,13,17-tetramethyloctadec-4-enoate.
What is the SMILES notation for [(Z)-3,7,11,15-tetramethylhexadec-2-enyl] (Z)-5,9,13,17-tetramethyloctadec-4-enoate?
The canonical SMILES for [(Z)-3,7,11,15-tetramethylhexadec-2-enyl] (Z)-5,9,13,17-tetramethyloctadec-4-enoate is C/C(=C/CCC(=O)OC/C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of [(Z)-3,7,11,15-tetramethylhexadec-2-enyl] (Z)-5,9,13,17-tetramethyloctadec-4-enoate?
The InChIKey is ABARQJARKZPEOX-ATSQNPLFSA-N. The full InChI is InChI=1S/C42H80O2/c1-34(2)18-11-20-36(5)22-13-24-38(7)26-15-27-40(9)30-17-31-42(43)44-33-32-41(10)29-16-28-39(8)25-14-23-37(6)21-12-19-35(3)4/h30,32,34-39H,11-29,31,33H2,1-10H3/b40-30-,41-32-.
What are the key properties of [(Z)-3,7,11,15-tetramethylhexadec-2-enyl] (Z)-5,9,13,17-tetramethyloctadec-4-enoate?
[(Z)-3,7,11,15-tetramethylhexadec-2-enyl] (Z)-5,9,13,17-tetramethyloctadec-4-enoate has a molecular weight of 617.10 g/mol, XLogP of 14.08, 29 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3,7,11,15-tetramethylhexadec-2-enyl] (Z)-5,9,13,17-tetramethyloctadec-4-enoate is sourced from PubChem (CID 24840687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).