trimethylsilyl 3-trimethylsilyloxyoctanoate

C14H32O3Si2 — CID 553092

IUPACtrimethylsilyl 3-trimethylsilyloxyoctanoate
SMILESCCCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H32O3Si2/c1-8-9-10-11-13(16-18(2,3)4)12-14(15)17-19(5,6)7/h13H,8-12H2,1-7H3
InChIKeyCVUFVRMCXZJNTH-UHFFFAOYSA-N
MW304.58 g/mol
LogP4.55
Rot. Bonds9

About trimethylsilyl 3-trimethylsilyloxyoctanoate

trimethylsilyl 3-trimethylsilyloxyoctanoate (PubChem CID 553092) has the molecular formula C14H32O3Si2 and a molecular weight of 304.58 g/mol. Its IUPAC name is trimethylsilyl 3-trimethylsilyloxyoctanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-trimethylsilyloxyoctanoate
PubChem CID553092
Molecular FormulaC14H32O3Si2
Molecular Weight304.58 g/mol
Exact Mass304.19
IUPAC Nametrimethylsilyl 3-trimethylsilyloxyoctanoate
SMILESCCCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H32O3Si2/c1-8-9-10-11-13(16-18(2,3)4)12-14(15)17-19(5,6)7/h13H,8-12H2,1-7H3
InChIKeyCVUFVRMCXZJNTH-UHFFFAOYSA-N
XLogP4.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.58
LogP ≤ 54.55
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'}

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Related Compounds

methyl (6S,7S,16S)-6,7,16-tris(trimethylsilyloxy)heptadecanoate
CID 162911043
Trimethylsilyl 3-trimethylsilyloxydecanoate
CID 553117
Octadecanoic acid, 9,10-bis[(trimethylsilyl)oxy]-, methyl ester
CID 553462
Octadecanoic acid, 12-[(trimethylsilyl)oxy]-, methyl ester
CID 604384
Methyl 15-trimethylsiloxy eicosanoate
CID 129726527
Methyl 18-trimethylsiloxy eicosanoate
CID 129726555
Methyl 12-trimethylsiloxy eicosanoate
CID 129726563
Methyl 8-trimethylsiloxy eicosanoate
CID 129726572
Methyl 17-trimethylsiloxy eicosanoate
CID 129726574
3-Trimethylsilyloxymyristic acid
CID 18546945
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate
CID 46895477
3-Trimethylsiloxy(trimethylsilyl)caproate
CID 526006

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3-trimethylsilyloxyoctanoate?
The IUPAC name of trimethylsilyl 3-trimethylsilyloxyoctanoate (CID 553092) is trimethylsilyl 3-trimethylsilyloxyoctanoate.
What is the SMILES notation for trimethylsilyl 3-trimethylsilyloxyoctanoate?
The canonical SMILES for trimethylsilyl 3-trimethylsilyloxyoctanoate is CCCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3-trimethylsilyloxyoctanoate?
The InChIKey is CVUFVRMCXZJNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O3Si2/c1-8-9-10-11-13(16-18(2,3)4)12-14(15)17-19(5,6)7/h13H,8-12H2,1-7H3.
What are the key properties of trimethylsilyl 3-trimethylsilyloxyoctanoate?
trimethylsilyl 3-trimethylsilyloxyoctanoate has a molecular weight of 304.58 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-trimethylsilyloxyoctanoate is sourced from PubChem (CID 553092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).