tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)heptadecan-2-yl]carbamate

C40H67NO5Si — CID 162646706

IUPACtert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)heptadecan-2-yl]carbamate
SMILESCCCCCCCCCCCCCC[C@H](OCOC)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C40H67NO5Si/c1-9-10-11-12-13-14-15-16-17-18-19-26-31-37(44-33-43-8)36(41-38(42)46-39(2,3)4)32-45-47(40(5,6)7,34-27-22-20-23-28-34)35-29-24-21-25-30-35/h20-25,27-30,36-37H,9-19,26,31-33H2,1-8H3,(H,41,42)/t36-,37-/m0/s1
InChIKeyWYEKZKXRDDAURM-BCRBLDSWSA-N
MW670.06 g/mol
LogP9.54
Rot. Bonds23

About tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)heptadecan-2-yl]carbamate

tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)heptadecan-2-yl]carbamate (PubChem CID 162646706) has the molecular formula C40H67NO5Si and a molecular weight of 670.06 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)heptadecan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)heptadecan-2-yl]carbamate
PubChem CID162646706
Molecular FormulaC40H67NO5Si
Molecular Weight670.06 g/mol
Exact Mass669.48
IUPAC Nametert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)heptadecan-2-yl]carbamate
SMILESCCCCCCCCCCCCCC[C@H](OCOC)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C40H67NO5Si/c1-9-10-11-12-13-14-15-16-17-18-19-26-31-37(44-33-43-8)36(41-38(42)46-39(2,3)4)32-45-47(40(5,6)7,34-27-22-20-23-28-34)35-29-24-21-25-30-35/h20-25,27-30,36-37H,9-19,26,31-33H2,1-8H3,(H,41,42)/t36-,37-/m0/s1
InChIKeyWYEKZKXRDDAURM-BCRBLDSWSA-N
XLogP9.54
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.06
LogP ≤ 59.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)heptadecan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)heptadecan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)heptadecan-2-yl]carbamate (CID 162646706) is tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)heptadecan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)heptadecan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)heptadecan-2-yl]carbamate is CCCCCCCCCCCCCC[C@H](OCOC)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)heptadecan-2-yl]carbamate?
The InChIKey is WYEKZKXRDDAURM-BCRBLDSWSA-N. The full InChI is InChI=1S/C40H67NO5Si/c1-9-10-11-12-13-14-15-16-17-18-19-26-31-37(44-33-43-8)36(41-38(42)46-39(2,3)4)32-45-47(40(5,6)7,34-27-22-20-23-28-34)35-29-24-21-25-30-35/h20-25,27-30,36-37H,9-19,26,31-33H2,1-8H3,(H,41,42)/t36-,37-/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)heptadecan-2-yl]carbamate?
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)heptadecan-2-yl]carbamate has a molecular weight of 670.06 g/mol, XLogP of 9.54, 23 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)heptadecan-2-yl]carbamate is sourced from PubChem (CID 162646706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).