trimethylsilyl 3-trimethylsilyloxyhexanoate

C12H28O3Si2 — CID 526006

IUPACtrimethylsilyl 3-trimethylsilyloxyhexanoate
SMILESCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-8-9-11(14-16(2,3)4)10-12(13)15-17(5,6)7/h11H,8-10H2,1-7H3
InChIKeyTUSDZUHTPDSVRW-UHFFFAOYSA-N
MW276.52 g/mol
LogP3.77
Rot. Bonds7

About trimethylsilyl 3-trimethylsilyloxyhexanoate

trimethylsilyl 3-trimethylsilyloxyhexanoate (PubChem CID 526006) has the molecular formula C12H28O3Si2 and a molecular weight of 276.52 g/mol. Its IUPAC name is trimethylsilyl 3-trimethylsilyloxyhexanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-trimethylsilyloxyhexanoate
PubChem CID526006
Molecular FormulaC12H28O3Si2
Molecular Weight276.52 g/mol
Exact Mass276.16
IUPAC Nametrimethylsilyl 3-trimethylsilyloxyhexanoate
SMILESCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-8-9-11(14-16(2,3)4)10-12(13)15-17(5,6)7/h11H,8-10H2,1-7H3
InChIKeyTUSDZUHTPDSVRW-UHFFFAOYSA-N
XLogP3.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.52
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

beta-Hydroxybutyric acid (tms)
CID 521577
Trimethylsilyl 3-trimethylsilyloxydecanoate
CID 553117
Hexanoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 521552
3-Trimethylsiloxyvaleric acid, trimethylsilyl ester
CID 522723
Bis(trimethylsilyl) 3-[(trimethylsilyl)oxy]dodecanedioate
CID 528647
Bis(trimethylsilyl) 3-trimethylsilyloxyoctanedioate
CID 528648
Hexanedioic acid, 3-trimethylsiloxy-, bis(trimethylsilyl) ester
CID 528649
3-Trimethylsiloxyoctanoic acid, trimethylsilyl ester
CID 553092
Decanedioic acid, 3-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 553954
3-Trimethylsiloxymyristic acid, trimethylsilyl ester
CID 553557
trimethylsilyl (3R)-3-trimethylsilyloxybutanoate
CID 13724699
Trimethylsilyl 3,12-bis(trimethylsilyloxy)dodecanoate
CID 173952176

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3-trimethylsilyloxyhexanoate?
The IUPAC name of trimethylsilyl 3-trimethylsilyloxyhexanoate (CID 526006) is trimethylsilyl 3-trimethylsilyloxyhexanoate.
What is the SMILES notation for trimethylsilyl 3-trimethylsilyloxyhexanoate?
The canonical SMILES for trimethylsilyl 3-trimethylsilyloxyhexanoate is CCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3-trimethylsilyloxyhexanoate?
The InChIKey is TUSDZUHTPDSVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3Si2/c1-8-9-11(14-16(2,3)4)10-12(13)15-17(5,6)7/h11H,8-10H2,1-7H3.
What are the key properties of trimethylsilyl 3-trimethylsilyloxyhexanoate?
trimethylsilyl 3-trimethylsilyloxyhexanoate has a molecular weight of 276.52 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-trimethylsilyloxyhexanoate is sourced from PubChem (CID 526006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).