N-[(4E,8E)-1,3-bis(trimethylsilyloxy)octadeca-4,8-dien-2-yl]acetamide

C26H53NO3Si2 — CID 5366776

IUPACN-[(4E,8E)-1,3-bis(trimethylsilyloxy)octadeca-4,8-dien-2-yl]acetamide
SMILESCCCCCCCCC/C=C/CC/C=C/C(O[Si](C)(C)C)C(CO[Si](C)(C)C)NC(C)=O
InChIInChI=1S/C26H53NO3Si2/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(30-32(6,7)8)25(27-24(2)28)23-29-31(3,4)5/h17-18,21-22,25-26H,9-16,19-20,23H2,1-8H3,(H,27,28)/b18-17+,22-21+
InChIKeySMIOUMBJWANLDB-KEIUHOJNSA-N
MW483.89 g/mol
LogP7.60
Rot. Bonds19

About N-[(4E,8E)-1,3-bis(trimethylsilyloxy)octadeca-4,8-dien-2-yl]acetamide

N-[(4E,8E)-1,3-bis(trimethylsilyloxy)octadeca-4,8-dien-2-yl]acetamide (PubChem CID 5366776) has the molecular formula C26H53NO3Si2 and a molecular weight of 483.89 g/mol. Its IUPAC name is N-[(4E,8E)-1,3-bis(trimethylsilyloxy)octadeca-4,8-dien-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4E,8E)-1,3-bis(trimethylsilyloxy)octadeca-4,8-dien-2-yl]acetamide
PubChem CID5366776
Molecular FormulaC26H53NO3Si2
Molecular Weight483.89 g/mol
Exact Mass483.36
IUPAC NameN-[(4E,8E)-1,3-bis(trimethylsilyloxy)octadeca-4,8-dien-2-yl]acetamide
SMILESCCCCCCCCC/C=C/CC/C=C/C(O[Si](C)(C)C)C(CO[Si](C)(C)C)NC(C)=O
InChIInChI=1S/C26H53NO3Si2/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(30-32(6,7)8)25(27-24(2)28)23-29-31(3,4)5/h17-18,21-22,25-26H,9-16,19-20,23H2,1-8H3,(H,27,28)/b18-17+,22-21+
InChIKeySMIOUMBJWANLDB-KEIUHOJNSA-N
XLogP7.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.89
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4E,8E)-1,3-bis(trimethylsilyloxy)octadeca-4,8-dien-2-yl]acetamide?
The IUPAC name of N-[(4E,8E)-1,3-bis(trimethylsilyloxy)octadeca-4,8-dien-2-yl]acetamide (CID 5366776) is N-[(4E,8E)-1,3-bis(trimethylsilyloxy)octadeca-4,8-dien-2-yl]acetamide.
What is the SMILES notation for N-[(4E,8E)-1,3-bis(trimethylsilyloxy)octadeca-4,8-dien-2-yl]acetamide?
The canonical SMILES for N-[(4E,8E)-1,3-bis(trimethylsilyloxy)octadeca-4,8-dien-2-yl]acetamide is CCCCCCCCC/C=C/CC/C=C/C(O[Si](C)(C)C)C(CO[Si](C)(C)C)NC(C)=O.
What is the InChIKey of N-[(4E,8E)-1,3-bis(trimethylsilyloxy)octadeca-4,8-dien-2-yl]acetamide?
The InChIKey is SMIOUMBJWANLDB-KEIUHOJNSA-N. The full InChI is InChI=1S/C26H53NO3Si2/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(30-32(6,7)8)25(27-24(2)28)23-29-31(3,4)5/h17-18,21-22,25-26H,9-16,19-20,23H2,1-8H3,(H,27,28)/b18-17+,22-21+.
What are the key properties of N-[(4E,8E)-1,3-bis(trimethylsilyloxy)octadeca-4,8-dien-2-yl]acetamide?
N-[(4E,8E)-1,3-bis(trimethylsilyloxy)octadeca-4,8-dien-2-yl]acetamide has a molecular weight of 483.89 g/mol, XLogP of 7.60, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E,8E)-1,3-bis(trimethylsilyloxy)octadeca-4,8-dien-2-yl]acetamide is sourced from PubChem (CID 5366776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).