trimethylsilyl 3,5-bis(trimethylsilyloxy)pentanoate

C14H34O4Si3 — CID 91753758

IUPACtrimethylsilyl 3,5-bis(trimethylsilyloxy)pentanoate
SMILESC[Si](C)(C)OCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H34O4Si3/c1-19(2,3)16-11-10-13(17-20(4,5)6)12-14(15)18-21(7,8)9/h13H,10-12H2,1-9H3
InChIKeyJASUYIMSIRPEBN-UHFFFAOYSA-N
MW350.68 g/mol
LogP4.22
Rot. Bonds9

About trimethylsilyl 3,5-bis(trimethylsilyloxy)pentanoate

trimethylsilyl 3,5-bis(trimethylsilyloxy)pentanoate (PubChem CID 91753758) has the molecular formula C14H34O4Si3 and a molecular weight of 350.68 g/mol. Its IUPAC name is trimethylsilyl 3,5-bis(trimethylsilyloxy)pentanoate.

Molecular Properties

Compound Nametrimethylsilyl 3,5-bis(trimethylsilyloxy)pentanoate
PubChem CID91753758
Molecular FormulaC14H34O4Si3
Molecular Weight350.68 g/mol
Exact Mass350.18
IUPAC Nametrimethylsilyl 3,5-bis(trimethylsilyloxy)pentanoate
SMILESC[Si](C)(C)OCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H34O4Si3/c1-19(2,3)16-11-10-13(17-20(4,5)6)12-14(15)18-21(7,8)9/h13H,10-12H2,1-9H3
InChIKeyJASUYIMSIRPEBN-UHFFFAOYSA-N
XLogP4.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.68
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(trimethylsilyl) 2-trimethylsilyloxybutanedioate
CID 522155
trimethyl(1-trimethylsilyloxyoctan-3-yloxy)silane
CID 14213504
(5S)-4,4-dimethyl-5,7-bis(trimethylsilyloxy)heptan-3-one
CID 11151311
trimethylsilyl (2S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propoxy]-2-methylpropanoate
CID 162937304
trimethyl-[1,2,5-tris(trimethylsilyloxy)pentan-3-yloxy]silane
CID 552765
2,3-bis(trimethylsilyloxy)propyl 14-methylhexadecanoate
CID 91747628
trimethylsilyl 4-[[3,3-dimethyl-2,4-bis(trimethylsilyloxy)butanoyl]amino]butanoate
CID 91696503
trimethylsilyl (2R,3S)-2,3,4-tris(trimethylsilyloxy)butanoate
CID 15720760
trimethylsilyl 2-fluoroacetate
CID 123819311
2,3-bis(trimethylsilyloxy)propyl 14-methylheptadecanoate
CID 91747627
S-tert-butyl (3S)-3-trimethylsilyloxyundecanethioate
CID 14970793
trimethyl(1-trimethylsilyloxypentan-2-yloxy)silane
CID 142414761

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3,5-bis(trimethylsilyloxy)pentanoate?
The IUPAC name of trimethylsilyl 3,5-bis(trimethylsilyloxy)pentanoate (CID 91753758) is trimethylsilyl 3,5-bis(trimethylsilyloxy)pentanoate.
What is the SMILES notation for trimethylsilyl 3,5-bis(trimethylsilyloxy)pentanoate?
The canonical SMILES for trimethylsilyl 3,5-bis(trimethylsilyloxy)pentanoate is C[Si](C)(C)OCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3,5-bis(trimethylsilyloxy)pentanoate?
The InChIKey is JASUYIMSIRPEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34O4Si3/c1-19(2,3)16-11-10-13(17-20(4,5)6)12-14(15)18-21(7,8)9/h13H,10-12H2,1-9H3.
What are the key properties of trimethylsilyl 3,5-bis(trimethylsilyloxy)pentanoate?
trimethylsilyl 3,5-bis(trimethylsilyloxy)pentanoate has a molecular weight of 350.68 g/mol, XLogP of 4.22, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3,5-bis(trimethylsilyloxy)pentanoate is sourced from PubChem (CID 91753758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).