N-[(Z,2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxytetradec-7-en-2-yl]acetamide

C32H49NO3Si — CID 10506236

IUPACN-[(Z,2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxytetradec-7-en-2-yl]acetamide
SMILESCCCCCC/C=C\CCC[C@@H](O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(C)=O
InChIInChI=1S/C32H49NO3Si/c1-6-7-8-9-10-11-12-13-20-25-31(35)30(33-27(2)34)26-36-37(32(3,4)5,28-21-16-14-17-22-28)29-23-18-15-19-24-29/h11-12,14-19,21-24,30-31,35H,6-10,13,20,25-26H2,1-5H3,(H,33,34)/b12-11-/t30-,31-/m1/s1
InChIKeyRFTKWFRBULUFTI-UZZXDRJWSA-N
MW523.83 g/mol
LogP6.13
Rot. Bonds16

About N-[(Z,2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxytetradec-7-en-2-yl]acetamide

N-[(Z,2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxytetradec-7-en-2-yl]acetamide (PubChem CID 10506236) has the molecular formula C32H49NO3Si and a molecular weight of 523.83 g/mol. Its IUPAC name is N-[(Z,2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxytetradec-7-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z,2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxytetradec-7-en-2-yl]acetamide
PubChem CID10506236
Molecular FormulaC32H49NO3Si
Molecular Weight523.83 g/mol
Exact Mass523.35
IUPAC NameN-[(Z,2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxytetradec-7-en-2-yl]acetamide
SMILESCCCCCC/C=C\CCC[C@@H](O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(C)=O
InChIInChI=1S/C32H49NO3Si/c1-6-7-8-9-10-11-12-13-20-25-31(35)30(33-27(2)34)26-36-37(32(3,4)5,28-21-16-14-17-22-28)29-23-18-15-19-24-29/h11-12,14-19,21-24,30-31,35H,6-10,13,20,25-26H2,1-5H3,(H,33,34)/b12-11-/t30-,31-/m1/s1
InChIKeyRFTKWFRBULUFTI-UZZXDRJWSA-N
XLogP6.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.83
LogP ≤ 56.13
H-Bond Donors ≤ 52
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-[(Z,2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxytetradec-7-en-2-yl]acetamide?
The IUPAC name of N-[(Z,2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxytetradec-7-en-2-yl]acetamide (CID 10506236) is N-[(Z,2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxytetradec-7-en-2-yl]acetamide.
What is the SMILES notation for N-[(Z,2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxytetradec-7-en-2-yl]acetamide?
The canonical SMILES for N-[(Z,2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxytetradec-7-en-2-yl]acetamide is CCCCCC/C=C\CCC[C@@H](O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(C)=O.
What is the InChIKey of N-[(Z,2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxytetradec-7-en-2-yl]acetamide?
The InChIKey is RFTKWFRBULUFTI-UZZXDRJWSA-N. The full InChI is InChI=1S/C32H49NO3Si/c1-6-7-8-9-10-11-12-13-20-25-31(35)30(33-27(2)34)26-36-37(32(3,4)5,28-21-16-14-17-22-28)29-23-18-15-19-24-29/h11-12,14-19,21-24,30-31,35H,6-10,13,20,25-26H2,1-5H3,(H,33,34)/b12-11-/t30-,31-/m1/s1.
What are the key properties of N-[(Z,2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxytetradec-7-en-2-yl]acetamide?
N-[(Z,2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxytetradec-7-en-2-yl]acetamide has a molecular weight of 523.83 g/mol, XLogP of 6.13, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxytetradec-7-en-2-yl]acetamide is sourced from PubChem (CID 10506236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).