benzyl N-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-enyl]carbamate

C30H37NO3Si — CID 46845979

IUPACbenzyl N-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-enyl]carbamate
SMILESC=CC[C@@H](CNC(=O)OCc1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H37NO3Si/c1-5-15-26(22-31-29(32)33-23-25-16-9-6-10-17-25)24-34-35(30(2,3)4,27-18-11-7-12-19-27)28-20-13-8-14-21-28/h5-14,16-21,26H,1,15,22-24H2,2-4H3,(H,31,32)/t26-/m0/s1
InChIKeyFMGMIQHAHPZGKE-SANMLTNESA-N
MW487.72 g/mol
LogP5.68
Rot. Bonds11

About benzyl N-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-enyl]carbamate

benzyl N-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-enyl]carbamate (PubChem CID 46845979) has the molecular formula C30H37NO3Si and a molecular weight of 487.72 g/mol. Its IUPAC name is benzyl N-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-enyl]carbamate
PubChem CID46845979
Molecular FormulaC30H37NO3Si
Molecular Weight487.72 g/mol
Exact Mass487.25
IUPAC Namebenzyl N-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-enyl]carbamate
SMILESC=CC[C@@H](CNC(=O)OCc1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H37NO3Si/c1-5-15-26(22-31-29(32)33-23-25-16-9-6-10-17-25)24-34-35(30(2,3)4,27-18-11-7-12-19-27)28-20-13-8-14-21-28/h5-14,16-21,26H,1,15,22-24H2,2-4H3,(H,31,32)/t26-/m0/s1
InChIKeyFMGMIQHAHPZGKE-SANMLTNESA-N
XLogP5.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.72
LogP ≤ 55.68
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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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-enyl]carbamate?
The IUPAC name of benzyl N-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-enyl]carbamate (CID 46845979) is benzyl N-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-enyl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-enyl]carbamate?
The canonical SMILES for benzyl N-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-enyl]carbamate is C=CC[C@@H](CNC(=O)OCc1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of benzyl N-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-enyl]carbamate?
The InChIKey is FMGMIQHAHPZGKE-SANMLTNESA-N. The full InChI is InChI=1S/C30H37NO3Si/c1-5-15-26(22-31-29(32)33-23-25-16-9-6-10-17-25)24-34-35(30(2,3)4,27-18-11-7-12-19-27)28-20-13-8-14-21-28/h5-14,16-21,26H,1,15,22-24H2,2-4H3,(H,31,32)/t26-/m0/s1.
What are the key properties of benzyl N-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-enyl]carbamate?
benzyl N-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-enyl]carbamate has a molecular weight of 487.72 g/mol, XLogP of 5.68, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-enyl]carbamate is sourced from PubChem (CID 46845979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).