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

C34H51NO3Si — CID 101229087

IUPAC(3S,4S,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,8,12-tetramethyltrideca-7,11-dienamide
SMILESCC(C)=CCC/C(C)=C/CC[C@H](O)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC(=O)N(C)C
InChIInChI=1S/C34H51NO3Si/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/h9-14,17,19-23,29,32,36H,15-16,18,24-26H2,1-8H3/b28-19+/t29-,32-/m0/s1
InChIKeyGFAUZGZKFGLAAE-LZDFVICDSA-N
MW549.87 g/mol
LogP6.49
Rot. Bonds14

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

(3S,4S,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,8,12-tetramethyltrideca-7,11-dienamide (PubChem CID 101229087) has the molecular formula C34H51NO3Si and a molecular weight of 549.87 g/mol. Its IUPAC name is (3S,4S,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,8,12-tetramethyltrideca-7,11-dienamide.

Molecular Properties

Compound Name(3S,4S,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,8,12-tetramethyltrideca-7,11-dienamide
PubChem CID101229087
Molecular FormulaC34H51NO3Si
Molecular Weight549.87 g/mol
Exact Mass549.36
IUPAC Name(3S,4S,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,8,12-tetramethyltrideca-7,11-dienamide
SMILESCC(C)=CCC/C(C)=C/CC[C@H](O)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC(=O)N(C)C
InChIInChI=1S/C34H51NO3Si/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/h9-14,17,19-23,29,32,36H,15-16,18,24-26H2,1-8H3/b28-19+/t29-,32-/m0/s1
InChIKeyGFAUZGZKFGLAAE-LZDFVICDSA-N
XLogP6.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.87
LogP ≤ 56.49
H-Bond Donors ≤ 51
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 (3S,4S,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,8,12-tetramethyltrideca-7,11-dienamide?
The IUPAC name of (3S,4S,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,8,12-tetramethyltrideca-7,11-dienamide (CID 101229087) is (3S,4S,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,8,12-tetramethyltrideca-7,11-dienamide.
What is the SMILES notation for (3S,4S,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,8,12-tetramethyltrideca-7,11-dienamide?
The canonical SMILES for (3S,4S,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,8,12-tetramethyltrideca-7,11-dienamide is CC(C)=CCC/C(C)=C/CC[C@H](O)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC(=O)N(C)C.
What is the InChIKey of (3S,4S,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,8,12-tetramethyltrideca-7,11-dienamide?
The InChIKey is GFAUZGZKFGLAAE-LZDFVICDSA-N. The full InChI is InChI=1S/C34H51NO3Si/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/h9-14,17,19-23,29,32,36H,15-16,18,24-26H2,1-8H3/b28-19+/t29-,32-/m0/s1.
What are the key properties of (3S,4S,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,8,12-tetramethyltrideca-7,11-dienamide?
(3S,4S,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,8,12-tetramethyltrideca-7,11-dienamide has a molecular weight of 549.87 g/mol, XLogP of 6.49, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,8,12-tetramethyltrideca-7,11-dienamide is sourced from PubChem (CID 101229087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).