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

C35H53NO3Si — CID 11342024

IUPAC(3S,4R,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4,8,12-pentamethyltrideca-7,11-dienamide
SMILESCC(C)=CCC/C(C)=C/CC[C@@](C)(O)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC(=O)N(C)C
InChIInChI=1S/C35H53NO3Si/c1-28(2)18-16-19-29(3)20-17-25-35(7,38)30(26-33(37)36(8)9)27-39-40(34(4,5)6,31-21-12-10-13-22-31)32-23-14-11-15-24-32/h10-15,18,20-24,30,38H,16-17,19,25-27H2,1-9H3/b29-20+/t30-,35+/m0/s1
InChIKeyHYCHFWZLQLWSBD-ICUSUQGPSA-N
MW563.90 g/mol
LogP6.88
Rot. Bonds14

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

(3S,4R,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4,8,12-pentamethyltrideca-7,11-dienamide (PubChem CID 11342024) has the molecular formula C35H53NO3Si and a molecular weight of 563.90 g/mol. Its IUPAC name is (3S,4R,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4,8,12-pentamethyltrideca-7,11-dienamide.

Molecular Properties

Compound Name(3S,4R,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4,8,12-pentamethyltrideca-7,11-dienamide
PubChem CID11342024
Molecular FormulaC35H53NO3Si
Molecular Weight563.90 g/mol
Exact Mass563.38
IUPAC Name(3S,4R,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4,8,12-pentamethyltrideca-7,11-dienamide
SMILESCC(C)=CCC/C(C)=C/CC[C@@](C)(O)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC(=O)N(C)C
InChIInChI=1S/C35H53NO3Si/c1-28(2)18-16-19-29(3)20-17-25-35(7,38)30(26-33(37)36(8)9)27-39-40(34(4,5)6,31-21-12-10-13-22-31)32-23-14-11-15-24-32/h10-15,18,20-24,30,38H,16-17,19,25-27H2,1-9H3/b29-20+/t30-,35+/m0/s1
InChIKeyHYCHFWZLQLWSBD-ICUSUQGPSA-N
XLogP6.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.90
LogP ≤ 56.88
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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Related Compounds

(7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,8,12-tetramethyl-4-oxotrideca-7,11-dienamide
CID 11168794
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylbutanamide
CID 11418148
(2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4-trimethylnonadecanamide
CID 50915520
(3S,4S,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,8,12-tetramethyltrideca-7,11-dienamide
CID 101229087

Frequently Asked Questions

What is the IUPAC name of (3S,4R,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4,8,12-pentamethyltrideca-7,11-dienamide?
The IUPAC name of (3S,4R,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4,8,12-pentamethyltrideca-7,11-dienamide (CID 11342024) is (3S,4R,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4,8,12-pentamethyltrideca-7,11-dienamide.
What is the SMILES notation for (3S,4R,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4,8,12-pentamethyltrideca-7,11-dienamide?
The canonical SMILES for (3S,4R,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4,8,12-pentamethyltrideca-7,11-dienamide is CC(C)=CCC/C(C)=C/CC[C@@](C)(O)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC(=O)N(C)C.
What is the InChIKey of (3S,4R,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4,8,12-pentamethyltrideca-7,11-dienamide?
The InChIKey is HYCHFWZLQLWSBD-ICUSUQGPSA-N. The full InChI is InChI=1S/C35H53NO3Si/c1-28(2)18-16-19-29(3)20-17-25-35(7,38)30(26-33(37)36(8)9)27-39-40(34(4,5)6,31-21-12-10-13-22-31)32-23-14-11-15-24-32/h10-15,18,20-24,30,38H,16-17,19,25-27H2,1-9H3/b29-20+/t30-,35+/m0/s1.
What are the key properties of (3S,4R,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4,8,12-pentamethyltrideca-7,11-dienamide?
(3S,4R,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4,8,12-pentamethyltrideca-7,11-dienamide has a molecular weight of 563.90 g/mol, XLogP of 6.88, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4,8,12-pentamethyltrideca-7,11-dienamide is sourced from PubChem (CID 11342024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).