tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-7-hydroxyhept-5-enyl]carbamate

C28H41NO4Si — CID 101358762

IUPACtert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-7-hydroxyhept-5-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(/C=C\CO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H41NO4Si/c1-27(2,3)32-26(31)29-21-13-15-23(16-14-22-30)33-34(28(4,5)6,24-17-9-7-10-18-24)25-19-11-8-12-20-25/h7-12,14,16-20,23,30H,13,15,21-22H2,1-6H3,(H,29,31)/b16-14-
InChIKeyDHYJPXWFNUNXGG-PEZBUJJGSA-N
MW483.73 g/mol
LogP4.78
Rot. Bonds10

About tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-7-hydroxyhept-5-enyl]carbamate

tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-7-hydroxyhept-5-enyl]carbamate (PubChem CID 101358762) has the molecular formula C28H41NO4Si and a molecular weight of 483.73 g/mol. Its IUPAC name is tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-7-hydroxyhept-5-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-7-hydroxyhept-5-enyl]carbamate
PubChem CID101358762
Molecular FormulaC28H41NO4Si
Molecular Weight483.73 g/mol
Exact Mass483.28
IUPAC Nametert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-7-hydroxyhept-5-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(/C=C\CO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H41NO4Si/c1-27(2,3)32-26(31)29-21-13-15-23(16-14-22-30)33-34(28(4,5)6,24-17-9-7-10-18-24)25-19-11-8-12-20-25/h7-12,14,16-20,23,30H,13,15,21-22H2,1-6H3,(H,29,31)/b16-14-
InChIKeyDHYJPXWFNUNXGG-PEZBUJJGSA-N
XLogP4.78
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.73
LogP ≤ 54.78
H-Bond Donors ≤ 52
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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Related Compounds

(E)-4-[tert-butyl(diphenyl)silyl]oxyhept-2-ene-1,7-diol
CID 177462583
tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane
CID 10719924
methyl (2E,6S,7Z)-6-[tert-butyl(diphenyl)silyl]oxy-10-trimethylsilyldeca-2,7-dienoate
CID 11145634
methyl (5S,6E,8Z)-5-[tert-butyl(diphenyl)silyl]oxy-11-hydroxyundeca-6,8-dienoate
CID 101068041
9-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoic acid
CID 138985529
tert-butyl N-[(E)-4-hydroxy-1-phenylbut-2-enyl]carbamate
CID 23293154
(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
CID 10937503
tert-butyl N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-(methoxymethoxy)pentyl]carbamate
CID 11432569
methyl (5S,6E,8Z)-5,11-bis[[tert-butyl(diphenyl)silyl]oxy]undeca-6,8-dienoate
CID 15462043
[3-[3-[tert-butyl(diphenyl)silyl]oxyundec-1-enyl]phenyl]methanol
CID 54559685
[10-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]dec-6-yn-5-yl] benzoate
CID 46848457
(2S)-2-(benzylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 101104055

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-7-hydroxyhept-5-enyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-7-hydroxyhept-5-enyl]carbamate (CID 101358762) is tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-7-hydroxyhept-5-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-7-hydroxyhept-5-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-7-hydroxyhept-5-enyl]carbamate is CC(C)(C)OC(=O)NCCCC(/C=C\CO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-7-hydroxyhept-5-enyl]carbamate?
The InChIKey is DHYJPXWFNUNXGG-PEZBUJJGSA-N. The full InChI is InChI=1S/C28H41NO4Si/c1-27(2,3)32-26(31)29-21-13-15-23(16-14-22-30)33-34(28(4,5)6,24-17-9-7-10-18-24)25-19-11-8-12-20-25/h7-12,14,16-20,23,30H,13,15,21-22H2,1-6H3,(H,29,31)/b16-14-.
What are the key properties of tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-7-hydroxyhept-5-enyl]carbamate?
tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-7-hydroxyhept-5-enyl]carbamate has a molecular weight of 483.73 g/mol, XLogP of 4.78, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-7-hydroxyhept-5-enyl]carbamate is sourced from PubChem (CID 101358762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).