tert-butyl N-[(2S)-5-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate

C17H35NO3Si — CID 87444379

IUPACtert-butyl N-[(2S)-5-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate
SMILESC[C@@H](CC=CO[Si](C)(C)C(C)(C)C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H35NO3Si/c1-14(18(8)15(19)21-16(2,3)4)12-11-13-20-22(9,10)17(5,6)7/h11,13-14H,12H2,1-10H3/t14-/m0/s1
InChIKeyMUJKWSPZGPAVFR-AWEZNQCLSA-N
MW329.56 g/mol
LogP5.17
Rot. Bonds5

About tert-butyl N-[(2S)-5-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate

tert-butyl N-[(2S)-5-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate (PubChem CID 87444379) has the molecular formula C17H35NO3Si and a molecular weight of 329.56 g/mol. Its IUPAC name is tert-butyl N-[(2S)-5-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-5-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate
PubChem CID87444379
Molecular FormulaC17H35NO3Si
Molecular Weight329.56 g/mol
Exact Mass329.24
IUPAC Nametert-butyl N-[(2S)-5-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate
SMILESC[C@@H](CC=CO[Si](C)(C)C(C)(C)C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H35NO3Si/c1-14(18(8)15(19)21-16(2,3)4)12-11-13-20-22(9,10)17(5,6)7/h11,13-14H,12H2,1-10H3/t14-/m0/s1
InChIKeyMUJKWSPZGPAVFR-AWEZNQCLSA-N
XLogP5.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.56
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-5-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(2S)-5-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate (CID 87444379) is tert-butyl N-[(2S)-5-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(2S)-5-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(2S)-5-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate is C[C@@H](CC=CO[Si](C)(C)C(C)(C)C)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-5-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate?
The InChIKey is MUJKWSPZGPAVFR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H35NO3Si/c1-14(18(8)15(19)21-16(2,3)4)12-11-13-20-22(9,10)17(5,6)7/h11,13-14H,12H2,1-10H3/t14-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-5-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate?
tert-butyl N-[(2S)-5-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate has a molecular weight of 329.56 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-5-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate is sourced from PubChem (CID 87444379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).