tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-yl]carbamate

C18H37NO3Si — CID 131735292

IUPACtert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-yl]carbamate
SMILESCC=C(CC)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H37NO3Si/c1-11-14(12-2)15(19-16(20)22-17(3,4)5)13-21-23(9,10)18(6,7)8/h11,15H,12-13H2,1-10H3,(H,19,20)/t15-/m1/s1
InChIKeyOGXIGNPGXDQAML-OAHLLOKOSA-N
MW343.58 g/mol
LogP5.26
Rot. Bonds6

About tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-yl]carbamate

tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-yl]carbamate (PubChem CID 131735292) has the molecular formula C18H37NO3Si and a molecular weight of 343.58 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-yl]carbamate
PubChem CID131735292
Molecular FormulaC18H37NO3Si
Molecular Weight343.58 g/mol
Exact Mass343.25
IUPAC Nametert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-yl]carbamate
SMILESCC=C(CC)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H37NO3Si/c1-11-14(12-2)15(19-16(20)22-17(3,4)5)13-21-23(9,10)18(6,7)8/h11,15H,12-13H2,1-10H3,(H,19,20)/t15-/m1/s1
InChIKeyOGXIGNPGXDQAML-OAHLLOKOSA-N
XLogP5.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.58
LogP ≤ 55.26
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 tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-yl]carbamate (CID 131735292) is tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-yl]carbamate is CC=C(CC)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-yl]carbamate?
The InChIKey is OGXIGNPGXDQAML-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H37NO3Si/c1-11-14(12-2)15(19-16(20)22-17(3,4)5)13-21-23(9,10)18(6,7)8/h11,15H,12-13H2,1-10H3,(H,19,20)/t15-/m1/s1.
What are the key properties of tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-yl]carbamate?
tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-yl]carbamate has a molecular weight of 343.58 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-yl]carbamate is sourced from PubChem (CID 131735292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).