methyl 4-trimethylsilyloxyhex-5-ynoate

C10H18O3Si — CID 14492215

IUPACmethyl 4-trimethylsilyloxyhex-5-ynoate
SMILESC#CC(CCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C10H18O3Si/c1-6-9(13-14(3,4)5)7-8-10(11)12-2/h1,9H,7-8H2,2-5H3
InChIKeyWYVWTJRSNVSQKI-UHFFFAOYSA-N
MW214.34 g/mol
LogP1.79
Rot. Bonds5

About methyl 4-trimethylsilyloxyhex-5-ynoate

methyl 4-trimethylsilyloxyhex-5-ynoate (PubChem CID 14492215) has the molecular formula C10H18O3Si and a molecular weight of 214.34 g/mol. Its IUPAC name is methyl 4-trimethylsilyloxyhex-5-ynoate.

Molecular Properties

Compound Namemethyl 4-trimethylsilyloxyhex-5-ynoate
PubChem CID14492215
Molecular FormulaC10H18O3Si
Molecular Weight214.34 g/mol
Exact Mass214.10
IUPAC Namemethyl 4-trimethylsilyloxyhex-5-ynoate
SMILESC#CC(CCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C10H18O3Si/c1-6-9(13-14(3,4)5)7-8-10(11)12-2/h1,9H,7-8H2,2-5H3
InChIKeyWYVWTJRSNVSQKI-UHFFFAOYSA-N
XLogP1.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.79
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 4-hydroxy-6-trimethylsilylhex-5-ynoate
CID 13289028
4-Trimethylsiloxy(trimethylsilyl)valerate
CID 528653
Methyl 4-hydroxy-2-trimethylsilylhex-5-ynoate
CID 19005815
methyl (4S)-4-hydroxy-6-trimethylsilylhex-5-ynoate
CID 56964827
methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
CID 56964828
ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
CID 58461611
ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate
CID 58461626
methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate
CID 59372853
Methyl 4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate
CID 72273509
Methyl 4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
CID 76451000
methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
CID 89058030
methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate
CID 89058031

Frequently Asked Questions

What is the IUPAC name of methyl 4-trimethylsilyloxyhex-5-ynoate?
The IUPAC name of methyl 4-trimethylsilyloxyhex-5-ynoate (CID 14492215) is methyl 4-trimethylsilyloxyhex-5-ynoate.
What is the SMILES notation for methyl 4-trimethylsilyloxyhex-5-ynoate?
The canonical SMILES for methyl 4-trimethylsilyloxyhex-5-ynoate is C#CC(CCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl 4-trimethylsilyloxyhex-5-ynoate?
The InChIKey is WYVWTJRSNVSQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3Si/c1-6-9(13-14(3,4)5)7-8-10(11)12-2/h1,9H,7-8H2,2-5H3.
What are the key properties of methyl 4-trimethylsilyloxyhex-5-ynoate?
methyl 4-trimethylsilyloxyhex-5-ynoate has a molecular weight of 214.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-trimethylsilyloxyhex-5-ynoate is sourced from PubChem (CID 14492215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).