trimethylsilyl nonanoate

C12H26O2Si — CID 522774

IUPACtrimethylsilyl nonanoate
SMILESCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C12H26O2Si/c1-5-6-7-8-9-10-11-12(13)14-15(2,3)4/h5-11H2,1-4H3
InChIKeyISTGUORKGWWKMI-UHFFFAOYSA-N
MW230.42 g/mol
LogP4.12
Rot. Bonds8

About trimethylsilyl nonanoate

trimethylsilyl nonanoate (PubChem CID 522774) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is trimethylsilyl nonanoate.

Molecular Properties

Compound Nametrimethylsilyl nonanoate
PubChem CID522774
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Nametrimethylsilyl nonanoate
SMILESCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C12H26O2Si/c1-5-6-7-8-9-10-11-12(13)14-15(2,3)4/h5-11H2,1-4H3
InChIKeyISTGUORKGWWKMI-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 54.12
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'}

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Related Compounds

Myristate
CID 4075158
Dodecanoate
CID 4149208
CID 135372298
CID 135372298
CID 135373094
CID 135373094
Tridecanoate
CID 21932507
Decanoic acid, ion(1-)
CID 4678093
Trimethylsilyl stearate
CID 87777
10-(Carbomethoxy)decyldimethylchlorosilane
CID 2757369
Bis(trimethylsilyl) adipate
CID 87457
Npc119807
CID 519592
Hexadecanic acid, trimethylsilyl ester
CID 521638
Npc267584
CID 521640

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl nonanoate?
The IUPAC name of trimethylsilyl nonanoate (CID 522774) is trimethylsilyl nonanoate.
What is the SMILES notation for trimethylsilyl nonanoate?
The canonical SMILES for trimethylsilyl nonanoate is CCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl nonanoate?
The InChIKey is ISTGUORKGWWKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-5-6-7-8-9-10-11-12(13)14-15(2,3)4/h5-11H2,1-4H3.
What are the key properties of trimethylsilyl nonanoate?
trimethylsilyl nonanoate has a molecular weight of 230.42 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl nonanoate is sourced from PubChem (CID 522774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).