trimethylsilyl 3,4-bis(trimethylsilyloxy)pentanoate

C14H34O4Si3 — CID 523318

IUPACtrimethylsilyl 3,4-bis(trimethylsilyloxy)pentanoate
SMILESCC(O[Si](C)(C)C)C(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H34O4Si3/c1-12(16-19(2,3)4)13(17-20(5,6)7)11-14(15)18-21(8,9)10/h12-13H,11H2,1-10H3
InChIKeyYGVRFQCWYDWBEX-UHFFFAOYSA-N
MW350.68 g/mol
LogP4.21
Rot. Bonds8

About trimethylsilyl 3,4-bis(trimethylsilyloxy)pentanoate

trimethylsilyl 3,4-bis(trimethylsilyloxy)pentanoate (PubChem CID 523318) has the molecular formula C14H34O4Si3 and a molecular weight of 350.68 g/mol. Its IUPAC name is trimethylsilyl 3,4-bis(trimethylsilyloxy)pentanoate.

Molecular Properties

Compound Nametrimethylsilyl 3,4-bis(trimethylsilyloxy)pentanoate
PubChem CID523318
Molecular FormulaC14H34O4Si3
Molecular Weight350.68 g/mol
Exact Mass350.18
IUPAC Nametrimethylsilyl 3,4-bis(trimethylsilyloxy)pentanoate
SMILESCC(O[Si](C)(C)C)C(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H34O4Si3/c1-12(16-19(2,3)4)13(17-20(5,6)7)11-14(15)18-21(8,9)10/h12-13H,11H2,1-10H3
InChIKeyYGVRFQCWYDWBEX-UHFFFAOYSA-N
XLogP4.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.68
LogP ≤ 54.21
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

3,4-Bis-[(tms)oxy]butanoic acid
CID 87627564
Bis(trimethylsilyl) 2,3-bis[(trimethylsilyl)oxy]succinate
CID 519591
3-Trimethylsiloxyvaleric acid, trimethylsilyl ester
CID 522723
Erythraric acid, TMS
CID 523397
Butanoic acid, 3,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 528639
Hexanedioic acid, 3-trimethylsiloxy-, bis(trimethylsilyl) ester
CID 528649
4-Trimethylsiloxy(trimethylsilyl)valerate
CID 528653
Threonic acid, tetrakis-TMS
CID 528672
D-2-Deoxyribose, 3TMS derivative
CID 553079
bis(trimethylsilyl) (2R,3R)-2,3-bis(trimethylsilyloxy)butanedioate
CID 91746749
methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxybutanoate
CID 162399709
Arabinonic acid, pentakis-TMS
CID 523307

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3,4-bis(trimethylsilyloxy)pentanoate?
The IUPAC name of trimethylsilyl 3,4-bis(trimethylsilyloxy)pentanoate (CID 523318) is trimethylsilyl 3,4-bis(trimethylsilyloxy)pentanoate.
What is the SMILES notation for trimethylsilyl 3,4-bis(trimethylsilyloxy)pentanoate?
The canonical SMILES for trimethylsilyl 3,4-bis(trimethylsilyloxy)pentanoate is CC(O[Si](C)(C)C)C(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3,4-bis(trimethylsilyloxy)pentanoate?
The InChIKey is YGVRFQCWYDWBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34O4Si3/c1-12(16-19(2,3)4)13(17-20(5,6)7)11-14(15)18-21(8,9)10/h12-13H,11H2,1-10H3.
What are the key properties of trimethylsilyl 3,4-bis(trimethylsilyloxy)pentanoate?
trimethylsilyl 3,4-bis(trimethylsilyloxy)pentanoate has a molecular weight of 350.68 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3,4-bis(trimethylsilyloxy)pentanoate is sourced from PubChem (CID 523318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).