methyl 9-trimethylsilylnona-5,8-diynoate

C13H20O2Si — CID 14608103

IUPACmethyl 9-trimethylsilylnona-5,8-diynoate
SMILESCOC(=O)CCCC#CCC#C[Si](C)(C)C
InChIInChI=1S/C13H20O2Si/c1-15-13(14)11-9-7-5-6-8-10-12-16(2,3)4/h7-9,11H2,1-4H3
InChIKeyHPUDPRFCRXVFPG-UHFFFAOYSA-N
MW236.39 g/mol
LogP2.60
Rot. Bonds3

About methyl 9-trimethylsilylnona-5,8-diynoate

methyl 9-trimethylsilylnona-5,8-diynoate (PubChem CID 14608103) has the molecular formula C13H20O2Si and a molecular weight of 236.39 g/mol. Its IUPAC name is methyl 9-trimethylsilylnona-5,8-diynoate.

Molecular Properties

Compound Namemethyl 9-trimethylsilylnona-5,8-diynoate
PubChem CID14608103
Molecular FormulaC13H20O2Si
Molecular Weight236.39 g/mol
Exact Mass236.12
IUPAC Namemethyl 9-trimethylsilylnona-5,8-diynoate
SMILESCOC(=O)CCCC#CCC#C[Si](C)(C)C
InChIInChI=1S/C13H20O2Si/c1-15-13(14)11-9-7-5-6-8-10-12-16(2,3)4/h7-9,11H2,1-4H3
InChIKeyHPUDPRFCRXVFPG-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 52.60
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 6-trimethylsilylhex-5-ynoate
CID 15214141
Methyl 5-trimethylsilylpentanoate
CID 129828491
Cyclopropanecarboxylic acid,-2-trimethylsilylethynyl, methyl ester
CID 548087
Methyl 7-trimethylsilylhept-6-ynoate
CID 10081917
Ethyl 4-oxo-6-trimethylsilylhex-5-ynoate
CID 10823142

Frequently Asked Questions

What is the IUPAC name of methyl 9-trimethylsilylnona-5,8-diynoate?
The IUPAC name of methyl 9-trimethylsilylnona-5,8-diynoate (CID 14608103) is methyl 9-trimethylsilylnona-5,8-diynoate.
What is the SMILES notation for methyl 9-trimethylsilylnona-5,8-diynoate?
The canonical SMILES for methyl 9-trimethylsilylnona-5,8-diynoate is COC(=O)CCCC#CCC#C[Si](C)(C)C.
What is the InChIKey of methyl 9-trimethylsilylnona-5,8-diynoate?
The InChIKey is HPUDPRFCRXVFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2Si/c1-15-13(14)11-9-7-5-6-8-10-12-16(2,3)4/h7-9,11H2,1-4H3.
What are the key properties of methyl 9-trimethylsilylnona-5,8-diynoate?
methyl 9-trimethylsilylnona-5,8-diynoate has a molecular weight of 236.39 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-trimethylsilylnona-5,8-diynoate is sourced from PubChem (CID 14608103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).