tert-butyl N-[(4R,6E,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-6,10-dienyl]carbamate

C28H57NO4Si2 — CID 53248482

IUPACtert-butyl N-[(4R,6E,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-6,10-dienyl]carbamate
SMILESC=CC[C@@H](/C=C/C[C@@H](CCCNC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H57NO4Si2/c1-15-18-23(32-34(11,12)27(5,6)7)19-16-20-24(33-35(13,14)28(8,9)10)21-17-22-29-25(30)31-26(2,3)4/h15-16,19,23-24H,1,17-18,20-22H2,2-14H3,(H,29,30)/b19-16+/t23-,24-/m0/s1
InChIKeyCHWMGSLLDQMINI-UZFJSIRBSA-N
MW527.94 g/mol
LogP8.59
Rot. Bonds13

About tert-butyl N-[(4R,6E,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-6,10-dienyl]carbamate

tert-butyl N-[(4R,6E,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-6,10-dienyl]carbamate (PubChem CID 53248482) has the molecular formula C28H57NO4Si2 and a molecular weight of 527.94 g/mol. Its IUPAC name is tert-butyl N-[(4R,6E,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-6,10-dienyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4R,6E,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-6,10-dienyl]carbamate
PubChem CID53248482
Molecular FormulaC28H57NO4Si2
Molecular Weight527.94 g/mol
Exact Mass527.38
IUPAC Nametert-butyl N-[(4R,6E,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-6,10-dienyl]carbamate
SMILESC=CC[C@@H](/C=C/C[C@@H](CCCNC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H57NO4Si2/c1-15-18-23(32-34(11,12)27(5,6)7)19-16-20-24(33-35(13,14)28(8,9)10)21-17-22-29-25(30)31-26(2,3)4/h15-16,19,23-24H,1,17-18,20-22H2,2-14H3,(H,29,30)/b19-16+/t23-,24-/m0/s1
InChIKeyCHWMGSLLDQMINI-UZFJSIRBSA-N
XLogP8.59
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.94
LogP ≤ 58.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 tert-butyl N-[(4R,6E,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-6,10-dienyl]carbamate?
The IUPAC name of tert-butyl N-[(4R,6E,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-6,10-dienyl]carbamate (CID 53248482) is tert-butyl N-[(4R,6E,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-6,10-dienyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4R,6E,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-6,10-dienyl]carbamate?
The canonical SMILES for tert-butyl N-[(4R,6E,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-6,10-dienyl]carbamate is C=CC[C@@H](/C=C/C[C@@H](CCCNC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(4R,6E,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-6,10-dienyl]carbamate?
The InChIKey is CHWMGSLLDQMINI-UZFJSIRBSA-N. The full InChI is InChI=1S/C28H57NO4Si2/c1-15-18-23(32-34(11,12)27(5,6)7)19-16-20-24(33-35(13,14)28(8,9)10)21-17-22-29-25(30)31-26(2,3)4/h15-16,19,23-24H,1,17-18,20-22H2,2-14H3,(H,29,30)/b19-16+/t23-,24-/m0/s1.
What are the key properties of tert-butyl N-[(4R,6E,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-6,10-dienyl]carbamate?
tert-butyl N-[(4R,6E,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-6,10-dienyl]carbamate has a molecular weight of 527.94 g/mol, XLogP of 8.59, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4R,6E,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-6,10-dienyl]carbamate is sourced from PubChem (CID 53248482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).