tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate

C26H37NO3Si — CID 58123160

IUPACtert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
SMILESC=C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C26H37NO3Si/c1-9-23(20(2)27-24(28)29-25(3,4)5)30-31(26(6,7)8,21-16-12-10-13-17-21)22-18-14-11-15-19-22/h9-20,23H,1H2,2-8H3,(H,27,28)/t20-,23+/m0/s1
InChIKeyVYEPQKBAJYHJBB-NZQKXSOJSA-N
MW439.67 g/mol
LogP5.03
Rot. Bonds7

About tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate

tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate (PubChem CID 58123160) has the molecular formula C26H37NO3Si and a molecular weight of 439.67 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
PubChem CID58123160
Molecular FormulaC26H37NO3Si
Molecular Weight439.67 g/mol
Exact Mass439.25
IUPAC Nametert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
SMILESC=C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C26H37NO3Si/c1-9-23(20(2)27-24(28)29-25(3,4)5)30-31(26(6,7)8,21-16-12-10-13-17-21)22-18-14-11-15-19-22/h9-20,23H,1H2,2-8H3,(H,27,28)/t20-,23+/m0/s1
InChIKeyVYEPQKBAJYHJBB-NZQKXSOJSA-N
XLogP5.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.67
LogP ≤ 55.03
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 tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate (CID 58123160) is tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate is C=C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate?
The InChIKey is VYEPQKBAJYHJBB-NZQKXSOJSA-N. The full InChI is InChI=1S/C26H37NO3Si/c1-9-23(20(2)27-24(28)29-25(3,4)5)30-31(26(6,7)8,21-16-12-10-13-17-21)22-18-14-11-15-19-22/h9-20,23H,1H2,2-8H3,(H,27,28)/t20-,23+/m0/s1.
What are the key properties of tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate?
tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate has a molecular weight of 439.67 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate is sourced from PubChem (CID 58123160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).