methyl 6-trimethylsilylhex-5-ynoate

C10H18O2Si — CID 15214141

IUPACmethyl 6-trimethylsilylhex-5-ynoate
SMILESCOC(=O)CCCC#C[Si](C)(C)C
InChIInChI=1S/C10H18O2Si/c1-12-10(11)8-6-5-7-9-13(2,3)4/h5-6,8H2,1-4H3
InChIKeyUUCANDKLQTWDNW-UHFFFAOYSA-N
MW198.34 g/mol
LogP2.21
Rot. Bonds3

About methyl 6-trimethylsilylhex-5-ynoate

methyl 6-trimethylsilylhex-5-ynoate (PubChem CID 15214141) has the molecular formula C10H18O2Si and a molecular weight of 198.34 g/mol. Its IUPAC name is methyl 6-trimethylsilylhex-5-ynoate.

Molecular Properties

Compound Namemethyl 6-trimethylsilylhex-5-ynoate
PubChem CID15214141
Molecular FormulaC10H18O2Si
Molecular Weight198.34 g/mol
Exact Mass198.11
IUPAC Namemethyl 6-trimethylsilylhex-5-ynoate
SMILESCOC(=O)CCCC#C[Si](C)(C)C
InChIInChI=1S/C10H18O2Si/c1-12-10(11)8-6-5-7-9-13(2,3)4/h5-6,8H2,1-4H3
InChIKeyUUCANDKLQTWDNW-UHFFFAOYSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Trimethylsilyl)methyl pentanoate
CID 91696722
5-Hexynoic acid, 4-oxo-6-(trimethylsilyl)-, methyl ester
CID 10656191
6-Trimethylsilylhex-5-ynyl acetate
CID 15214160
Ethyl 2-fluoro-6-trimethylsilylhex-5-ynoate
CID 13393081
Methyl non-5-ynoate
CID 556298
5-Hexynoic acid, 6-(trimethylsilyl)-
CID 11990074
4-Pentynoic acid, 5-(trimethylsilyl)-, methyl ester
CID 10867019
Methyl 5-trimethylsilylpentanoate
CID 129828491
Cyclopropanecarboxylic acid,-2-trimethylsilylethynyl, methyl ester
CID 548087
Methyl 7-trimethylsilylhept-6-ynoate
CID 10081917
Hpudprfcrxvfpg-uhfffaoysa-
CID 14608103
Ethyl 4-oxo-6-trimethylsilylhex-5-ynoate
CID 10823142

Frequently Asked Questions

What is the IUPAC name of methyl 6-trimethylsilylhex-5-ynoate?
The IUPAC name of methyl 6-trimethylsilylhex-5-ynoate (CID 15214141) is methyl 6-trimethylsilylhex-5-ynoate.
What is the SMILES notation for methyl 6-trimethylsilylhex-5-ynoate?
The canonical SMILES for methyl 6-trimethylsilylhex-5-ynoate is COC(=O)CCCC#C[Si](C)(C)C.
What is the InChIKey of methyl 6-trimethylsilylhex-5-ynoate?
The InChIKey is UUCANDKLQTWDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2Si/c1-12-10(11)8-6-5-7-9-13(2,3)4/h5-6,8H2,1-4H3.
What are the key properties of methyl 6-trimethylsilylhex-5-ynoate?
methyl 6-trimethylsilylhex-5-ynoate has a molecular weight of 198.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-trimethylsilylhex-5-ynoate is sourced from PubChem (CID 15214141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).