tert-butyl N-[(1R,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-pent-4-enylcyclopentyl]carbamate

C34H51NO3Si — CID 11671194

IUPACtert-butyl N-[(1R,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-pent-4-enylcyclopentyl]carbamate
SMILESC=CCCC[C@@]1(NC(=O)OC(C)(C)C)CCC[C@@H]1[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H51NO3Si/c1-9-10-17-24-34(35-31(36)38-32(3,4)5)25-18-23-30(34)27(2)26-37-39(33(6,7)8,28-19-13-11-14-20-28)29-21-15-12-16-22-29/h9,11-16,19-22,27,30H,1,10,17-18,23-26H2,2-8H3,(H,35,36)/t27-,30+,34+/m0/s1
InChIKeyFWYKYDOEFKUKKE-PEMZAYNASA-N
MW549.87 g/mol
LogP7.62
Rot. Bonds11

About tert-butyl N-[(1R,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-pent-4-enylcyclopentyl]carbamate

tert-butyl N-[(1R,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-pent-4-enylcyclopentyl]carbamate (PubChem CID 11671194) has the molecular formula C34H51NO3Si and a molecular weight of 549.87 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-pent-4-enylcyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-pent-4-enylcyclopentyl]carbamate
PubChem CID11671194
Molecular FormulaC34H51NO3Si
Molecular Weight549.87 g/mol
Exact Mass549.36
IUPAC Nametert-butyl N-[(1R,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-pent-4-enylcyclopentyl]carbamate
SMILESC=CCCC[C@@]1(NC(=O)OC(C)(C)C)CCC[C@@H]1[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H51NO3Si/c1-9-10-17-24-34(35-31(36)38-32(3,4)5)25-18-23-30(34)27(2)26-37-39(33(6,7)8,28-19-13-11-14-20-28)29-21-15-12-16-22-29/h9,11-16,19-22,27,30H,1,10,17-18,23-26H2,2-8H3,(H,35,36)/t27-,30+,34+/m0/s1
InChIKeyFWYKYDOEFKUKKE-PEMZAYNASA-N
XLogP7.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.87
LogP ≤ 57.62
H-Bond Donors ≤ 51
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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Related Compounds

tert-butyl N-[(1S,2R)-2-[(2R)-1-hydroxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate
CID 10956996
prop-2-enyl N-[(2R,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-4-oxoazetidin-3-yl]carbamate
CID 57314363
benzyl N-[(1S,2R)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-1-[(E)-7-(methoxymethoxy)-4-oxohept-2-enyl]cyclopentyl]carbamate
CID 139262776
tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-oxopropan-2-yl]carbamate
CID 23240415
dimethyl 2-[1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-yl]propanedioate
CID 135072238
ethyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175198201
tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-prop-2-enylpyrrolidine-1-carboxylate
CID 101384187
[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102238795
tert-butyl N-[(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate
CID 142544419
tert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate
CID 161390684
5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid
CID 22100308
tert-butyl N-[(2R,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methyl-5-oxohexan-2-yl]carbamate
CID 102155717

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-pent-4-enylcyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-pent-4-enylcyclopentyl]carbamate (CID 11671194) is tert-butyl N-[(1R,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-pent-4-enylcyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-pent-4-enylcyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-pent-4-enylcyclopentyl]carbamate is C=CCCC[C@@]1(NC(=O)OC(C)(C)C)CCC[C@@H]1[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(1R,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-pent-4-enylcyclopentyl]carbamate?
The InChIKey is FWYKYDOEFKUKKE-PEMZAYNASA-N. The full InChI is InChI=1S/C34H51NO3Si/c1-9-10-17-24-34(35-31(36)38-32(3,4)5)25-18-23-30(34)27(2)26-37-39(33(6,7)8,28-19-13-11-14-20-28)29-21-15-12-16-22-29/h9,11-16,19-22,27,30H,1,10,17-18,23-26H2,2-8H3,(H,35,36)/t27-,30+,34+/m0/s1.
What are the key properties of tert-butyl N-[(1R,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-pent-4-enylcyclopentyl]carbamate?
tert-butyl N-[(1R,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-pent-4-enylcyclopentyl]carbamate has a molecular weight of 549.87 g/mol, XLogP of 7.62, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-pent-4-enylcyclopentyl]carbamate is sourced from PubChem (CID 11671194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).