tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate

C16H30O3Si — CID 154707305

IUPACtert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
SMILESC#CC[C@@H](CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-10-11-13(12-14(17)18-15(2,3)4)19-20(8,9)16(5,6)7/h1,13H,11-12H2,2-9H3/t13-/m0/s1
InChIKeyQBKOLHQZXURVST-ZDUSSCGKSA-N
MW298.50 g/mol
LogP4.13
Rot. Bonds5

About tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate

tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate (PubChem CID 154707305) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
PubChem CID154707305
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Nametert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
SMILESC#CC[C@@H](CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-10-11-13(12-14(17)18-15(2,3)4)19-20(8,9)16(5,6)7/h1,13H,11-12H2,2-9H3/t13-/m0/s1
InChIKeyQBKOLHQZXURVST-ZDUSSCGKSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
CID 101907487
Methyl 3-tri(propan-2-yl)silyloxydec-5-ynoate
CID 10498368
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 10900943
Methyl 3-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 14280327
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 14280328
ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
CID 58461611
Tert-butyl 3-hydroxy-6-trimethylsilylhex-5-ynoate
CID 77990886
2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 90362167
Ethyl 3-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 123198737
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-ynoate
CID 141428397
Tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 153315405
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 153315415

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate?
The IUPAC name of tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate (CID 154707305) is tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate.
What is the SMILES notation for tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate?
The canonical SMILES for tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate is C#CC[C@@H](CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate?
The InChIKey is QBKOLHQZXURVST-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-10-11-13(12-14(17)18-15(2,3)4)19-20(8,9)16(5,6)7/h1,13H,11-12H2,2-9H3/t13-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate?
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate has a molecular weight of 298.50 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate is sourced from PubChem (CID 154707305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).