methyl 6-[tert-butyl(dimethyl)silyl]oxyhex-2-ynoate

C13H24O3Si — CID 11459539

IUPACmethyl 6-[tert-butyl(dimethyl)silyl]oxyhex-2-ynoate
SMILESCOC(=O)C#CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-13(2,3)17(5,6)16-11-9-7-8-10-12(14)15-4/h7,9,11H2,1-6H3
InChIKeyIFHPEEZVOHXHMT-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.96
Rot. Bonds4

About methyl 6-[tert-butyl(dimethyl)silyl]oxyhex-2-ynoate

methyl 6-[tert-butyl(dimethyl)silyl]oxyhex-2-ynoate (PubChem CID 11459539) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is methyl 6-[tert-butyl(dimethyl)silyl]oxyhex-2-ynoate.

Molecular Properties

Compound Namemethyl 6-[tert-butyl(dimethyl)silyl]oxyhex-2-ynoate
PubChem CID11459539
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Namemethyl 6-[tert-butyl(dimethyl)silyl]oxyhex-2-ynoate
SMILESCOC(=O)C#CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-13(2,3)17(5,6)16-11-9-7-8-10-12(14)15-4/h7,9,11H2,1-6H3
InChIKeyIFHPEEZVOHXHMT-UHFFFAOYSA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Methyl 4-((tert-butyldimethylsilyl)oxy)but-2-ynoate
CID 11117822
2-Heptynoic acid, 7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, methyl ester
CID 11231036
Ethyl 5-tri(propan-2-yl)silyloxypent-2-ynoate
CID 10542121
Ethyl 4-(trimethylsilyl)but-3-ynoate
CID 11298356
5-((tert-Butyldimethylsilyl)oxy)pent-2-ynoic acid
CID 11401927
2-Butynoic acid, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, ethyl ester
CID 11447879
Ethyl 5-[(tert-butyldimethylsilyl)oxy]pent-2-ynoate
CID 11455521
Methyl 5-((tert-butyldimethylsilyl)oxy)pent-2-ynoate
CID 12658853
6-Trimethylsilylhex-5-ynyl acetate
CID 15214160
4-(Tert-butyl-dimethyl-silanyloxy)-but-2-ynoic acid
CID 22478445
Ethyl 3-(triisopropylsilyl)propiolate
CID 86210757
Ethyl 4-(trimethylsilyloxy)-2-butynoate
CID 14288400

Frequently Asked Questions

What is the IUPAC name of methyl 6-[tert-butyl(dimethyl)silyl]oxyhex-2-ynoate?
The IUPAC name of methyl 6-[tert-butyl(dimethyl)silyl]oxyhex-2-ynoate (CID 11459539) is methyl 6-[tert-butyl(dimethyl)silyl]oxyhex-2-ynoate.
What is the SMILES notation for methyl 6-[tert-butyl(dimethyl)silyl]oxyhex-2-ynoate?
The canonical SMILES for methyl 6-[tert-butyl(dimethyl)silyl]oxyhex-2-ynoate is COC(=O)C#CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 6-[tert-butyl(dimethyl)silyl]oxyhex-2-ynoate?
The InChIKey is IFHPEEZVOHXHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-13(2,3)17(5,6)16-11-9-7-8-10-12(14)15-4/h7,9,11H2,1-6H3.
What are the key properties of methyl 6-[tert-butyl(dimethyl)silyl]oxyhex-2-ynoate?
methyl 6-[tert-butyl(dimethyl)silyl]oxyhex-2-ynoate has a molecular weight of 256.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[tert-butyl(dimethyl)silyl]oxyhex-2-ynoate is sourced from PubChem (CID 11459539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).