methyl (4R)-4-trimethylsilyloxynon-8-en-2-ynoate

C13H22O3Si — CID 11777100

IUPACmethyl (4R)-4-trimethylsilyloxynon-8-en-2-ynoate
SMILESC=CCCC[C@H](C#CC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C13H22O3Si/c1-6-7-8-9-12(16-17(3,4)5)10-11-13(14)15-2/h6,12H,1,7-9H2,2-5H3/t12-/m1/s1
InChIKeyKXASVGDKQCBAOU-GFCCVEGCSA-N
MW254.40 g/mol
LogP2.74
Rot. Bonds6

About methyl (4R)-4-trimethylsilyloxynon-8-en-2-ynoate

methyl (4R)-4-trimethylsilyloxynon-8-en-2-ynoate (PubChem CID 11777100) has the molecular formula C13H22O3Si and a molecular weight of 254.40 g/mol. Its IUPAC name is methyl (4R)-4-trimethylsilyloxynon-8-en-2-ynoate.

Molecular Properties

Compound Namemethyl (4R)-4-trimethylsilyloxynon-8-en-2-ynoate
PubChem CID11777100
Molecular FormulaC13H22O3Si
Molecular Weight254.40 g/mol
Exact Mass254.13
IUPAC Namemethyl (4R)-4-trimethylsilyloxynon-8-en-2-ynoate
SMILESC=CCCC[C@H](C#CC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C13H22O3Si/c1-6-7-8-9-12(16-17(3,4)5)10-11-13(14)15-2/h6,12H,1,7-9H2,2-5H3/t12-/m1/s1
InChIKeyKXASVGDKQCBAOU-GFCCVEGCSA-N
XLogP2.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.74
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(3S)-1-trimethylsilylhept-6-en-1-yn-3-yl] acetate
CID 135023701
methyl (4R,6S)-6-methyl-4-trimethylsilyloxynon-8-en-2-ynoate
CID 10061588
methyl (4R,6R)-6-methyl-4-trimethylsilyloxynon-8-en-2-ynoate
CID 11054685
methyl (4S)-4-acetyloxynon-8-en-2-ynoate
CID 44551081
ethyl (4S)-4-acetyloxynon-8-en-2-ynoate
CID 44551082
Undeca-1,10-dien-4-yn-6-yl acetate
CID 101244442
Ethyl 7-[tert-butyl(dimethyl)silyl]oxynon-8-en-2-ynoate
CID 102362687

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-trimethylsilyloxynon-8-en-2-ynoate?
The IUPAC name of methyl (4R)-4-trimethylsilyloxynon-8-en-2-ynoate (CID 11777100) is methyl (4R)-4-trimethylsilyloxynon-8-en-2-ynoate.
What is the SMILES notation for methyl (4R)-4-trimethylsilyloxynon-8-en-2-ynoate?
The canonical SMILES for methyl (4R)-4-trimethylsilyloxynon-8-en-2-ynoate is C=CCCC[C@H](C#CC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl (4R)-4-trimethylsilyloxynon-8-en-2-ynoate?
The InChIKey is KXASVGDKQCBAOU-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H22O3Si/c1-6-7-8-9-12(16-17(3,4)5)10-11-13(14)15-2/h6,12H,1,7-9H2,2-5H3/t12-/m1/s1.
What are the key properties of methyl (4R)-4-trimethylsilyloxynon-8-en-2-ynoate?
methyl (4R)-4-trimethylsilyloxynon-8-en-2-ynoate has a molecular weight of 254.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-trimethylsilyloxynon-8-en-2-ynoate is sourced from PubChem (CID 11777100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).