(E)-1-ethoxy-3,7,11,15-tetramethylhexadec-2-ene

C22H44O — CID 57386873

IUPAC(E)-1-ethoxy-3,7,11,15-tetramethylhexadec-2-ene
SMILESCCOC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C22H44O/c1-7-23-18-17-22(6)16-10-15-21(5)14-9-13-20(4)12-8-11-19(2)3/h17,19-21H,7-16,18H2,1-6H3/b22-17+
InChIKeyADGZSLVXSZYLLW-OQKWZONESA-N
MW324.59 g/mol
LogP7.41
Rot. Bonds15

About (E)-1-ethoxy-3,7,11,15-tetramethylhexadec-2-ene

(E)-1-ethoxy-3,7,11,15-tetramethylhexadec-2-ene (PubChem CID 57386873) has the molecular formula C22H44O and a molecular weight of 324.59 g/mol. Its IUPAC name is (E)-1-ethoxy-3,7,11,15-tetramethylhexadec-2-ene.

Molecular Properties

Compound Name(E)-1-ethoxy-3,7,11,15-tetramethylhexadec-2-ene
PubChem CID57386873
Molecular FormulaC22H44O
Molecular Weight324.59 g/mol
Exact Mass324.34
IUPAC Name(E)-1-ethoxy-3,7,11,15-tetramethylhexadec-2-ene
SMILESCCOC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C22H44O/c1-7-23-18-17-22(6)16-10-15-21(5)14-9-13-20(4)12-8-11-19(2)3/h17,19-21H,7-16,18H2,1-6H3/b22-17+
InChIKeyADGZSLVXSZYLLW-OQKWZONESA-N
XLogP7.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.59
LogP ≤ 57.41
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)-1-ethoxy-3,7,11,15-tetramethylhexadec-2-ene?
The IUPAC name of (E)-1-ethoxy-3,7,11,15-tetramethylhexadec-2-ene (CID 57386873) is (E)-1-ethoxy-3,7,11,15-tetramethylhexadec-2-ene.
What is the SMILES notation for (E)-1-ethoxy-3,7,11,15-tetramethylhexadec-2-ene?
The canonical SMILES for (E)-1-ethoxy-3,7,11,15-tetramethylhexadec-2-ene is CCOC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of (E)-1-ethoxy-3,7,11,15-tetramethylhexadec-2-ene?
The InChIKey is ADGZSLVXSZYLLW-OQKWZONESA-N. The full InChI is InChI=1S/C22H44O/c1-7-23-18-17-22(6)16-10-15-21(5)14-9-13-20(4)12-8-11-19(2)3/h17,19-21H,7-16,18H2,1-6H3/b22-17+.
What are the key properties of (E)-1-ethoxy-3,7,11,15-tetramethylhexadec-2-ene?
(E)-1-ethoxy-3,7,11,15-tetramethylhexadec-2-ene has a molecular weight of 324.59 g/mol, XLogP of 7.41, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethoxy-3,7,11,15-tetramethylhexadec-2-ene is sourced from PubChem (CID 57386873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).