tert-butyl N-[(3S)-5-methyl-1-oxo-2-triethylsilylhex-1-en-3-yl]carbamate

C18H35NO3Si — CID 100985226

IUPACtert-butyl N-[(3S)-5-methyl-1-oxo-2-triethylsilylhex-1-en-3-yl]carbamate
SMILESCC[Si](CC)(CC)C(=C=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H35NO3Si/c1-9-23(10-2,11-3)16(13-20)15(12-14(4)5)19-17(21)22-18(6,7)8/h14-15H,9-12H2,1-8H3,(H,19,21)/t15-/m0/s1
InChIKeyGSLLPBJKLHMQFA-HNNXBMFYSA-N
MW341.57 g/mol
LogP4.73
Rot. Bonds8

About tert-butyl N-[(3S)-5-methyl-1-oxo-2-triethylsilylhex-1-en-3-yl]carbamate

tert-butyl N-[(3S)-5-methyl-1-oxo-2-triethylsilylhex-1-en-3-yl]carbamate (PubChem CID 100985226) has the molecular formula C18H35NO3Si and a molecular weight of 341.57 g/mol. Its IUPAC name is tert-butyl N-[(3S)-5-methyl-1-oxo-2-triethylsilylhex-1-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-5-methyl-1-oxo-2-triethylsilylhex-1-en-3-yl]carbamate
PubChem CID100985226
Molecular FormulaC18H35NO3Si
Molecular Weight341.57 g/mol
Exact Mass341.24
IUPAC Nametert-butyl N-[(3S)-5-methyl-1-oxo-2-triethylsilylhex-1-en-3-yl]carbamate
SMILESCC[Si](CC)(CC)C(=C=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H35NO3Si/c1-9-23(10-2,11-3)16(13-20)15(12-14(4)5)19-17(21)22-18(6,7)8/h14-15H,9-12H2,1-8H3,(H,19,21)/t15-/m0/s1
InChIKeyGSLLPBJKLHMQFA-HNNXBMFYSA-N
XLogP4.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.57
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 123558492
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tert-butyl N-[(2S)-1-(ethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 7038768
2-methylpropyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 137320509
tert-butyl N-[(3R)-5-methyl-1,2-dioxohexan-3-yl]carbamate
CID 10776618
tert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 23388437
4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoic acid
CID 3243056
tert-butyl N-[(2S)-1-(1-hydroxypropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 101493965
[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl] 3-methyl-2-propan-2-ylbutanoate
CID 174639257
tert-butyl N-[(2R,4S)-1,2-dihydroxy-2,6-dimethyl-3-oxoheptan-4-yl]carbamate
CID 86715361
tert-butyl N-(1-amino-1-imino-4-methylpentan-2-yl)carbamate
CID 61428279
(2S)-3-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoic acid
CID 14446073

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-5-methyl-1-oxo-2-triethylsilylhex-1-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-5-methyl-1-oxo-2-triethylsilylhex-1-en-3-yl]carbamate (CID 100985226) is tert-butyl N-[(3S)-5-methyl-1-oxo-2-triethylsilylhex-1-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-5-methyl-1-oxo-2-triethylsilylhex-1-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-5-methyl-1-oxo-2-triethylsilylhex-1-en-3-yl]carbamate is CC[Si](CC)(CC)C(=C=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3S)-5-methyl-1-oxo-2-triethylsilylhex-1-en-3-yl]carbamate?
The InChIKey is GSLLPBJKLHMQFA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H35NO3Si/c1-9-23(10-2,11-3)16(13-20)15(12-14(4)5)19-17(21)22-18(6,7)8/h14-15H,9-12H2,1-8H3,(H,19,21)/t15-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-5-methyl-1-oxo-2-triethylsilylhex-1-en-3-yl]carbamate?
tert-butyl N-[(3S)-5-methyl-1-oxo-2-triethylsilylhex-1-en-3-yl]carbamate has a molecular weight of 341.57 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-5-methyl-1-oxo-2-triethylsilylhex-1-en-3-yl]carbamate is sourced from PubChem (CID 100985226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).