trimethylsilyl 6-trimethylsilylhex-5-ynoate

C12H24O2Si2 — CID 102423041

IUPACtrimethylsilyl 6-trimethylsilylhex-5-ynoate
SMILESC[Si](C)(C)C#CCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C12H24O2Si2/c1-15(2,3)11-9-7-8-10-12(13)14-16(4,5)6/h7-8,10H2,1-6H3
InChIKeyRYRSQWSTBWPWFY-UHFFFAOYSA-N
MW256.49 g/mol
LogP3.42
Rot. Bonds4

About trimethylsilyl 6-trimethylsilylhex-5-ynoate

trimethylsilyl 6-trimethylsilylhex-5-ynoate (PubChem CID 102423041) has the molecular formula C12H24O2Si2 and a molecular weight of 256.49 g/mol. Its IUPAC name is trimethylsilyl 6-trimethylsilylhex-5-ynoate.

Molecular Properties

Compound Nametrimethylsilyl 6-trimethylsilylhex-5-ynoate
PubChem CID102423041
Molecular FormulaC12H24O2Si2
Molecular Weight256.49 g/mol
Exact Mass256.13
IUPAC Nametrimethylsilyl 6-trimethylsilylhex-5-ynoate
SMILESC[Si](C)(C)C#CCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C12H24O2Si2/c1-15(2,3)11-9-7-8-10-12(13)14-16(4,5)6/h7-8,10H2,1-6H3
InChIKeyRYRSQWSTBWPWFY-UHFFFAOYSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.49
LogP ≤ 53.42
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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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 6-trimethylsilylhex-5-ynoate?
The IUPAC name of trimethylsilyl 6-trimethylsilylhex-5-ynoate (CID 102423041) is trimethylsilyl 6-trimethylsilylhex-5-ynoate.
What is the SMILES notation for trimethylsilyl 6-trimethylsilylhex-5-ynoate?
The canonical SMILES for trimethylsilyl 6-trimethylsilylhex-5-ynoate is C[Si](C)(C)C#CCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 6-trimethylsilylhex-5-ynoate?
The InChIKey is RYRSQWSTBWPWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si2/c1-15(2,3)11-9-7-8-10-12(13)14-16(4,5)6/h7-8,10H2,1-6H3.
What are the key properties of trimethylsilyl 6-trimethylsilylhex-5-ynoate?
trimethylsilyl 6-trimethylsilylhex-5-ynoate has a molecular weight of 256.49 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 6-trimethylsilylhex-5-ynoate is sourced from PubChem (CID 102423041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).