tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate

C17H35NO3Si — CID 76654762

IUPACtert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate
SMILESC=CCC(CO[Si](C)(C)C(C)(C)C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H35NO3Si/c1-11-12-14(13-20-22(9,10)17(5,6)7)18(8)15(19)21-16(2,3)4/h11,14H,1,12-13H2,2-10H3
InChIKeySOSDTMHWSKNYMZ-UHFFFAOYSA-N
MW329.56 g/mol
LogP4.82
Rot. Bonds6

About tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate

tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate (PubChem CID 76654762) has the molecular formula C17H35NO3Si and a molecular weight of 329.56 g/mol. Its IUPAC name is tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate
PubChem CID76654762
Molecular FormulaC17H35NO3Si
Molecular Weight329.56 g/mol
Exact Mass329.24
IUPAC Nametert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate
SMILESC=CCC(CO[Si](C)(C)C(C)(C)C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H35NO3Si/c1-11-12-14(13-20-22(9,10)17(5,6)7)18(8)15(19)21-16(2,3)4/h11,14H,1,12-13H2,2-10H3
InChIKeySOSDTMHWSKNYMZ-UHFFFAOYSA-N
XLogP4.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.56
LogP ≤ 54.82
H-Bond Donors ≤ 50
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 tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate (CID 76654762) is tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate is C=CCC(CO[Si](C)(C)C(C)(C)C)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate?
The InChIKey is SOSDTMHWSKNYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3Si/c1-11-12-14(13-20-22(9,10)17(5,6)7)18(8)15(19)21-16(2,3)4/h11,14H,1,12-13H2,2-10H3.
What are the key properties of tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate?
tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate has a molecular weight of 329.56 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-N-methylcarbamate is sourced from PubChem (CID 76654762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).