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

C32H47NO3Si — CID 42631456

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

tert-butyl N-[(1R,2S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate (PubChem CID 42631456) has the molecular formula C32H47NO3Si and a molecular weight of 521.82 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(1R,2S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate
• PubChem CID: 42631456
• Molecular Formula: C32H47NO3Si
• Molecular Weight: 521.82 g/mol
• Exact Mass: 521.33
• IUPAC Name: tert-butyl N-[(1R,2S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate
• SMILES: 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
• InChI: 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+/m1/s1
• InChIKey: SKEGCCURJOZUIC-XSFHMJGTSA-N
• XLogP: 6.84
• TPSA: 47.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.82
LogP ≤ 5	6.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate?

The IUPAC name of tert-butyl N-[(1R,2S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate (CID 42631456) is tert-butyl N-[(1R,2S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate.

What is the SMILES notation for tert-butyl N-[(1R,2S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate?

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

The InChIKey is SKEGCCURJOZUIC-XSFHMJGTSA-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+/m1/s1.

What are the key properties of tert-butyl N-[(1R,2S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate?

tert-butyl N-[(1R,2S)-2-[(2S)-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-[(1R,2S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate is sourced from PubChem (CID 42631456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).