trimethylsilyl 4-trimethylsilyloxypentanoate

C11H26O3Si2 — CID 528653

IUPACtrimethylsilyl 4-trimethylsilyloxypentanoate
SMILESCC(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C11H26O3Si2/c1-10(13-15(2,3)4)8-9-11(12)14-16(5,6)7/h10H,8-9H2,1-7H3
InChIKeyVRBHLUQITMKLAN-UHFFFAOYSA-N
MW262.50 g/mol
LogP3.38
Rot. Bonds6

About trimethylsilyl 4-trimethylsilyloxypentanoate

trimethylsilyl 4-trimethylsilyloxypentanoate (PubChem CID 528653) has the molecular formula C11H26O3Si2 and a molecular weight of 262.50 g/mol. Its IUPAC name is trimethylsilyl 4-trimethylsilyloxypentanoate.

Molecular Properties

Compound Nametrimethylsilyl 4-trimethylsilyloxypentanoate
PubChem CID528653
Molecular FormulaC11H26O3Si2
Molecular Weight262.50 g/mol
Exact Mass262.14
IUPAC Nametrimethylsilyl 4-trimethylsilyloxypentanoate
SMILESCC(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C11H26O3Si2/c1-10(13-15(2,3)4)8-9-11(12)14-16(5,6)7/h10H,8-9H2,1-7H3
InChIKeyVRBHLUQITMKLAN-UHFFFAOYSA-N
XLogP3.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.50
LogP ≤ 53.38
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

Trimethylsilyl 4-((trimethylsilyl)oxy)butanoate
CID 589994
2-Trimethylsiloxyvaleric acid, trimethylsilyl ester
CID 521692
3-Trimethylsiloxyvaleric acid, trimethylsilyl ester
CID 522723
ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 11118818
Methyl 4-trimethylsilyloxyhex-5-ynoate
CID 14492215
2,5-Dideoxypentonic acid, tris-TMS
CID 523318
3,5-Dideoxy-erythro-pentonic acid, tris-TMS
CID 523348
4-Hydroxy-2-methylpentanoic acid, bis-TMS
CID 14440990
3,5-Dideoxy-threo-pentonic acid, tris-TMS
CID 91746735
Trimethylsilyl 4,5-bis(trimethylsilyloxy)pentanoate
CID 91753757
5-Trimethylsilyloxy-n-valeric acid, trimethylsilyl ester
CID 589992
4-[(Tert-butyldimethylsilyl)oxy]pentanoicacid
CID 10998891

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4-trimethylsilyloxypentanoate?
The IUPAC name of trimethylsilyl 4-trimethylsilyloxypentanoate (CID 528653) is trimethylsilyl 4-trimethylsilyloxypentanoate.
What is the SMILES notation for trimethylsilyl 4-trimethylsilyloxypentanoate?
The canonical SMILES for trimethylsilyl 4-trimethylsilyloxypentanoate is CC(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 4-trimethylsilyloxypentanoate?
The InChIKey is VRBHLUQITMKLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O3Si2/c1-10(13-15(2,3)4)8-9-11(12)14-16(5,6)7/h10H,8-9H2,1-7H3.
What are the key properties of trimethylsilyl 4-trimethylsilyloxypentanoate?
trimethylsilyl 4-trimethylsilyloxypentanoate has a molecular weight of 262.50 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4-trimethylsilyloxypentanoate is sourced from PubChem (CID 528653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).