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

C32H47NO3Si — CID 10973368

IUPACtert-butyl N-[(1S,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate
SMILESC=CC[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/C32H47NO3Si/c1-9-22-32(33-29(34)36-30(3,4)5)23-16-21-28(32)25(2)24-35-37(31(6,7)8,26-17-12-10-13-18-26)27-19-14-11-15-20-27/h9-15,17-20,25,28H,1,16,21-24H2,2-8H3,(H,33,34)/t25-,28+,32+/m0/s1
InChIKeySKEGCCURJOZUIC-AAMSNGAJSA-N
MW521.82 g/mol
LogP6.84
Rot. Bonds9

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

tert-butyl N-[(1S,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate (PubChem CID 10973368) has the molecular formula C32H47NO3Si and a molecular weight of 521.82 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate
PubChem CID10973368
Molecular FormulaC32H47NO3Si
Molecular Weight521.82 g/mol
Exact Mass521.33
IUPAC Nametert-butyl N-[(1S,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate
SMILESC=CC[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/C32H47NO3Si/c1-9-22-32(33-29(34)36-30(3,4)5)23-16-21-28(32)25(2)24-35-37(31(6,7)8,26-17-12-10-13-18-26)27-19-14-11-15-20-27/h9-15,17-20,25,28H,1,16,21-24H2,2-8H3,(H,33,34)/t25-,28+,32+/m0/s1
InChIKeySKEGCCURJOZUIC-AAMSNGAJSA-N
XLogP6.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.82
LogP ≤ 56.84
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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Related Compounds

tert-butyl N-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexen-1-yl]carbamate
CID 161311223
tert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate
CID 161390684
methyl (Z)-6-[(1S,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]hex-2-enoate
CID 11072118
methyl (E)-6-[(1S,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]hex-2-enoate
CID 11399304
ethyl (2E,4E)-8-[(1R,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]-2-methylocta-2,4-dienoate
CID 11527565
tert-butyl N-[(1S,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-[(E)-6-oxohex-4-enyl]cyclopentyl]carbamate
CID 11577816
tert-butyl N-[(1R,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-pent-4-enylcyclopentyl]carbamate
CID 11671194
tert-butyl N-[(1R,2S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate
CID 42631456
ethyl (2E,4E)-8-[(1R,2R)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]-2-methylocta-2,4-dienoate
CID 102020820
tert-butyl N-[(1R,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-[(E)-6-oxohex-4-enyl]cyclopentyl]carbamate
CID 177428999

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate (CID 10973368) is tert-butyl N-[(1S,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate is C=CC[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-[(1S,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate?
The InChIKey is SKEGCCURJOZUIC-AAMSNGAJSA-N. The full InChI is InChI=1S/C32H47NO3Si/c1-9-22-32(33-29(34)36-30(3,4)5)23-16-21-28(32)25(2)24-35-37(31(6,7)8,26-17-12-10-13-18-26)27-19-14-11-15-20-27/h9-15,17-20,25,28H,1,16,21-24H2,2-8H3,(H,33,34)/t25-,28+,32+/m0/s1.
What are the key properties of tert-butyl N-[(1S,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate?
tert-butyl N-[(1S,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate has a molecular weight of 521.82 g/mol, XLogP of 6.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate is sourced from PubChem (CID 10973368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).