methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-ynoate

C15H28O3Si — CID 141428397

IUPACmethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-ynoate
SMILESCCC#CC[C@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-8-9-10-11-13(12-14(16)17-5)18-19(6,7)15(2,3)4/h13H,8,11-12H2,1-7H3/t13-/m1/s1
InChIKeyFJDRFQRFKTUBOG-CYBMUJFWSA-N
MW284.47 g/mol
LogP3.74
Rot. Bonds5

About methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-ynoate

methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-ynoate (PubChem CID 141428397) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-ynoate.

Molecular Properties

Compound Namemethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-ynoate
PubChem CID141428397
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Namemethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-ynoate
SMILESCCC#CC[C@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-8-9-10-11-13(12-14(16)17-5)18-19(6,7)15(2,3)4/h13H,8,11-12H2,1-7H3/t13-/m1/s1
InChIKeyFJDRFQRFKTUBOG-CYBMUJFWSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.74
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

Methyl (R)-3-[(tert-Butyldimethylsilyl)oxy]butanoate
CID 11009839
methyl (2R,3R)-2-methyl-3-triethylsilyloxypentanoate
CID 16731925
Ethyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
CID 101907487
methyl (3R)-3-triethylsilyloxyhexanoate
CID 135041151
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
CID 154707305
Pentanoic acid, 4-methyl-3-(t-butyldimethylsilyloxy)-, methyl ester
CID 608938
Methyl 3-tri(propan-2-yl)silyloxydec-5-ynoate
CID 10498368
3-Tri(propan-2-yl)silyloxydec-5-ynoic acid
CID 10521150
methyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanoate
CID 21604458
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 129404573
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 10900943
ethyl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate
CID 11356639

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-ynoate?
The IUPAC name of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-ynoate (CID 141428397) is methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-ynoate.
What is the SMILES notation for methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-ynoate?
The canonical SMILES for methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-ynoate is CCC#CC[C@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-ynoate?
The InChIKey is FJDRFQRFKTUBOG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-8-9-10-11-13(12-14(16)17-5)18-19(6,7)15(2,3)4/h13H,8,11-12H2,1-7H3/t13-/m1/s1.
What are the key properties of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-ynoate?
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-ynoate has a molecular weight of 284.47 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-ynoate is sourced from PubChem (CID 141428397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).