(7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,8,12-tetramethyl-4-oxotrideca-7,11-dienamide

C34H49NO3Si — CID 11168794

IUPAC(7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,8,12-tetramethyl-4-oxotrideca-7,11-dienamide
SMILESCC(C)=CCC/C(C)=C/CCC(=O)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC(=O)N(C)C
InChIInChI=1S/C34H49NO3Si/c1-27(2)17-15-18-28(3)19-16-24-32(36)29(25-33(37)35(7)8)26-38-39(34(4,5)6,30-20-11-9-12-21-30)31-22-13-10-14-23-31/h9-14,17,19-23,29H,15-16,18,24-26H2,1-8H3/b28-19+
InChIKeyASDVVTSCWYBDOC-TURZUDJPSA-N
MW547.86 g/mol
LogP6.70
Rot. Bonds14

About (7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,8,12-tetramethyl-4-oxotrideca-7,11-dienamide

(7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,8,12-tetramethyl-4-oxotrideca-7,11-dienamide (PubChem CID 11168794) has the molecular formula C34H49NO3Si and a molecular weight of 547.86 g/mol. Its IUPAC name is (7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,8,12-tetramethyl-4-oxotrideca-7,11-dienamide.

Molecular Properties

Compound Name(7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,8,12-tetramethyl-4-oxotrideca-7,11-dienamide
PubChem CID11168794
Molecular FormulaC34H49NO3Si
Molecular Weight547.86 g/mol
Exact Mass547.35
IUPAC Name(7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,8,12-tetramethyl-4-oxotrideca-7,11-dienamide
SMILESCC(C)=CCC/C(C)=C/CCC(=O)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC(=O)N(C)C
InChIInChI=1S/C34H49NO3Si/c1-27(2)17-15-18-28(3)19-16-24-32(36)29(25-33(37)35(7)8)26-38-39(34(4,5)6,30-20-11-9-12-21-30)31-22-13-10-14-23-31/h9-14,17,19-23,29H,15-16,18,24-26H2,1-8H3/b28-19+
InChIKeyASDVVTSCWYBDOC-TURZUDJPSA-N
XLogP6.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.86
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,8,12-tetramethyl-4-oxotrideca-7,11-dienamide?
The IUPAC name of (7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,8,12-tetramethyl-4-oxotrideca-7,11-dienamide (CID 11168794) is (7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,8,12-tetramethyl-4-oxotrideca-7,11-dienamide.
What is the SMILES notation for (7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,8,12-tetramethyl-4-oxotrideca-7,11-dienamide?
The canonical SMILES for (7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,8,12-tetramethyl-4-oxotrideca-7,11-dienamide is CC(C)=CCC/C(C)=C/CCC(=O)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC(=O)N(C)C.
What is the InChIKey of (7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,8,12-tetramethyl-4-oxotrideca-7,11-dienamide?
The InChIKey is ASDVVTSCWYBDOC-TURZUDJPSA-N. The full InChI is InChI=1S/C34H49NO3Si/c1-27(2)17-15-18-28(3)19-16-24-32(36)29(25-33(37)35(7)8)26-38-39(34(4,5)6,30-20-11-9-12-21-30)31-22-13-10-14-23-31/h9-14,17,19-23,29H,15-16,18,24-26H2,1-8H3/b28-19+.
What are the key properties of (7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,8,12-tetramethyl-4-oxotrideca-7,11-dienamide?
(7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,8,12-tetramethyl-4-oxotrideca-7,11-dienamide has a molecular weight of 547.86 g/mol, XLogP of 6.70, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,8,12-tetramethyl-4-oxotrideca-7,11-dienamide is sourced from PubChem (CID 11168794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).