(E)-3,7,11,15-tetramethyl-1-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]hexadec-2-ene

C40H78O — CID 15714636

IUPAC(E)-3,7,11,15-tetramethyl-1-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]hexadec-2-ene
SMILESC/C(=C\COC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C40H78O/c1-33(2)17-11-19-35(5)21-13-23-37(7)25-15-27-39(9)29-31-41-32-30-40(10)28-16-26-38(8)24-14-22-36(6)20-12-18-34(3)4/h29-30,33-38H,11-28,31-32H2,1-10H3/b39-29+,40-30+
InChIKeyVTZZHVBCZJQWLI-NXRKLTDKSA-N
MW575.06 g/mol
LogP13.77
Rot. Bonds28

About (E)-3,7,11,15-tetramethyl-1-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]hexadec-2-ene

(E)-3,7,11,15-tetramethyl-1-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]hexadec-2-ene (PubChem CID 15714636) has the molecular formula C40H78O and a molecular weight of 575.06 g/mol. Its IUPAC name is (E)-3,7,11,15-tetramethyl-1-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]hexadec-2-ene.

Molecular Properties

Compound Name(E)-3,7,11,15-tetramethyl-1-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]hexadec-2-ene
PubChem CID15714636
Molecular FormulaC40H78O
Molecular Weight575.06 g/mol
Exact Mass574.61
IUPAC Name(E)-3,7,11,15-tetramethyl-1-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]hexadec-2-ene
SMILESC/C(=C\COC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C40H78O/c1-33(2)17-11-19-35(5)21-13-23-37(7)25-15-27-39(9)29-31-41-32-30-40(10)28-16-26-38(8)24-14-22-36(6)20-12-18-34(3)4/h29-30,33-38H,11-28,31-32H2,1-10H3/b39-29+,40-30+
InChIKeyVTZZHVBCZJQWLI-NXRKLTDKSA-N
XLogP13.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.06
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3,7,11,15-tetramethyl-1-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]hexadec-2-ene?
The IUPAC name of (E)-3,7,11,15-tetramethyl-1-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]hexadec-2-ene (CID 15714636) is (E)-3,7,11,15-tetramethyl-1-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]hexadec-2-ene.
What is the SMILES notation for (E)-3,7,11,15-tetramethyl-1-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]hexadec-2-ene?
The canonical SMILES for (E)-3,7,11,15-tetramethyl-1-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]hexadec-2-ene is C/C(=C\COC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of (E)-3,7,11,15-tetramethyl-1-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]hexadec-2-ene?
The InChIKey is VTZZHVBCZJQWLI-NXRKLTDKSA-N. The full InChI is InChI=1S/C40H78O/c1-33(2)17-11-19-35(5)21-13-23-37(7)25-15-27-39(9)29-31-41-32-30-40(10)28-16-26-38(8)24-14-22-36(6)20-12-18-34(3)4/h29-30,33-38H,11-28,31-32H2,1-10H3/b39-29+,40-30+.
What are the key properties of (E)-3,7,11,15-tetramethyl-1-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]hexadec-2-ene?
(E)-3,7,11,15-tetramethyl-1-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]hexadec-2-ene has a molecular weight of 575.06 g/mol, XLogP of 13.77, 28 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,7,11,15-tetramethyl-1-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]hexadec-2-ene is sourced from PubChem (CID 15714636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).