(2E,6E)-11-[hydroxy(diphenyl)silyl]-N-methoxy-N,11-dimethyldodeca-2,6-dienamide

C27H37NO3Si — CID 88912948

IUPAC(2E,6E)-11-[hydroxy(diphenyl)silyl]-N-methoxy-N,11-dimethyldodeca-2,6-dienamide
SMILESCON(C)C(=O)/C=C/CC/C=C/CCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H37NO3Si/c1-27(2,23-17-9-7-5-6-8-16-22-26(29)28(3)31-4)32(30,24-18-12-10-13-19-24)25-20-14-11-15-21-25/h5,7,10-16,18-22,30H,6,8-9,17,23H2,1-4H3/b7-5+,22-16+
InChIKeyZWMBNJMGHHXKCM-HPVLVJOVSA-N
MW451.68 g/mol
LogP4.60
Rot. Bonds12

About (2E,6E)-11-[hydroxy(diphenyl)silyl]-N-methoxy-N,11-dimethyldodeca-2,6-dienamide

(2E,6E)-11-[hydroxy(diphenyl)silyl]-N-methoxy-N,11-dimethyldodeca-2,6-dienamide (PubChem CID 88912948) has the molecular formula C27H37NO3Si and a molecular weight of 451.68 g/mol. Its IUPAC name is (2E,6E)-11-[hydroxy(diphenyl)silyl]-N-methoxy-N,11-dimethyldodeca-2,6-dienamide.

Molecular Properties

Compound Name(2E,6E)-11-[hydroxy(diphenyl)silyl]-N-methoxy-N,11-dimethyldodeca-2,6-dienamide
PubChem CID88912948
Molecular FormulaC27H37NO3Si
Molecular Weight451.68 g/mol
Exact Mass451.25
IUPAC Name(2E,6E)-11-[hydroxy(diphenyl)silyl]-N-methoxy-N,11-dimethyldodeca-2,6-dienamide
SMILESCON(C)C(=O)/C=C/CC/C=C/CCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H37NO3Si/c1-27(2,23-17-9-7-5-6-8-16-22-26(29)28(3)31-4)32(30,24-18-12-10-13-19-24)25-20-14-11-15-21-25/h5,7,10-16,18-22,30H,6,8-9,17,23H2,1-4H3/b7-5+,22-16+
InChIKeyZWMBNJMGHHXKCM-HPVLVJOVSA-N
XLogP4.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.68
LogP ≤ 54.60
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-11-[hydroxy(diphenyl)silyl]-N-methoxy-N,11-dimethyldodeca-2,6-dienamide?
The IUPAC name of (2E,6E)-11-[hydroxy(diphenyl)silyl]-N-methoxy-N,11-dimethyldodeca-2,6-dienamide (CID 88912948) is (2E,6E)-11-[hydroxy(diphenyl)silyl]-N-methoxy-N,11-dimethyldodeca-2,6-dienamide.
What is the SMILES notation for (2E,6E)-11-[hydroxy(diphenyl)silyl]-N-methoxy-N,11-dimethyldodeca-2,6-dienamide?
The canonical SMILES for (2E,6E)-11-[hydroxy(diphenyl)silyl]-N-methoxy-N,11-dimethyldodeca-2,6-dienamide is CON(C)C(=O)/C=C/CC/C=C/CCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2E,6E)-11-[hydroxy(diphenyl)silyl]-N-methoxy-N,11-dimethyldodeca-2,6-dienamide?
The InChIKey is ZWMBNJMGHHXKCM-HPVLVJOVSA-N. The full InChI is InChI=1S/C27H37NO3Si/c1-27(2,23-17-9-7-5-6-8-16-22-26(29)28(3)31-4)32(30,24-18-12-10-13-19-24)25-20-14-11-15-21-25/h5,7,10-16,18-22,30H,6,8-9,17,23H2,1-4H3/b7-5+,22-16+.
What are the key properties of (2E,6E)-11-[hydroxy(diphenyl)silyl]-N-methoxy-N,11-dimethyldodeca-2,6-dienamide?
(2E,6E)-11-[hydroxy(diphenyl)silyl]-N-methoxy-N,11-dimethyldodeca-2,6-dienamide has a molecular weight of 451.68 g/mol, XLogP of 4.60, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-11-[hydroxy(diphenyl)silyl]-N-methoxy-N,11-dimethyldodeca-2,6-dienamide is sourced from PubChem (CID 88912948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).