2-trimethylsilyl-3-trimethylsilyloxyhexanoic acid

C12H28O3Si2 — CID 22211916

IUPAC2-trimethylsilyl-3-trimethylsilyloxyhexanoic acid
SMILESCCCC(O[Si](C)(C)C)C(C(=O)O)[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-8-9-10(15-17(5,6)7)11(12(13)14)16(2,3)4/h10-11H,8-9H2,1-7H3,(H,13,14)
InChIKeyVCXFDHNSJGCXII-UHFFFAOYSA-N
MW276.52 g/mol
LogP3.80
Rot. Bonds7

About 2-trimethylsilyl-3-trimethylsilyloxyhexanoic acid

2-trimethylsilyl-3-trimethylsilyloxyhexanoic acid (PubChem CID 22211916) has the molecular formula C12H28O3Si2 and a molecular weight of 276.52 g/mol. Its IUPAC name is 2-trimethylsilyl-3-trimethylsilyloxyhexanoic acid.

Molecular Properties

Compound Name2-trimethylsilyl-3-trimethylsilyloxyhexanoic acid
PubChem CID22211916
Molecular FormulaC12H28O3Si2
Molecular Weight276.52 g/mol
Exact Mass276.16
IUPAC Name2-trimethylsilyl-3-trimethylsilyloxyhexanoic acid
SMILESCCCC(O[Si](C)(C)C)C(C(=O)O)[Si](C)(C)C
InChIInChI=1S/C12H28O3Si2/c1-8-9-10(15-17(5,6)7)11(12(13)14)16(2,3)4/h10-11H,8-9H2,1-7H3,(H,13,14)
InChIKeyVCXFDHNSJGCXII-UHFFFAOYSA-N
XLogP3.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethylsilyl (2S,3S)-2-trimethylsilyl-3-trimethylsilyloxydecanoate
CID 101121224
2-trimethylsilyloxybutanoic acid
CID 88616813
2-methyl-3-tri(propan-2-yl)silyloxyhexanoic acid
CID 76530796
4-chloro-2-methyl-3-trimethylsilyloxybutanoic acid
CID 57318038
2-[dibutoxy(methyl)silyl]oxypentanoic acid
CID 140542016
trimethyl(pentan-2-yloxy)silane
CID 552847
3,4-bis(trimethylsilyloxy)pentanoic acid
CID 87303554
methyl 9,10-bis(trimethylsilyloxy)octadecanoate
CID 553462
2-pentan-2-ylpropanedioic acid
CID 11469359
dihydroxy(oxo)phosphanium;2-propylpropanedioic acid
CID 174636212
butyl 2-trimethylsilyloxypropanoate
CID 88549339
trimethylsilyl (2S)-2-aminopentanoate
CID 140849909

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilyl-3-trimethylsilyloxyhexanoic acid?
The IUPAC name of 2-trimethylsilyl-3-trimethylsilyloxyhexanoic acid (CID 22211916) is 2-trimethylsilyl-3-trimethylsilyloxyhexanoic acid.
What is the SMILES notation for 2-trimethylsilyl-3-trimethylsilyloxyhexanoic acid?
The canonical SMILES for 2-trimethylsilyl-3-trimethylsilyloxyhexanoic acid is CCCC(O[Si](C)(C)C)C(C(=O)O)[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilyl-3-trimethylsilyloxyhexanoic acid?
The InChIKey is VCXFDHNSJGCXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3Si2/c1-8-9-10(15-17(5,6)7)11(12(13)14)16(2,3)4/h10-11H,8-9H2,1-7H3,(H,13,14).
What are the key properties of 2-trimethylsilyl-3-trimethylsilyloxyhexanoic acid?
2-trimethylsilyl-3-trimethylsilyloxyhexanoic acid has a molecular weight of 276.52 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyl-3-trimethylsilyloxyhexanoic acid is sourced from PubChem (CID 22211916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).