trimethylsilyl 2-ethyl-3-trimethylsilyloxyhexanoate

C14H32O3Si2 — CID 91718976

IUPACtrimethylsilyl 2-ethyl-3-trimethylsilyloxyhexanoate
SMILESCCCC(O[Si](C)(C)C)C(CC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H32O3Si2/c1-9-11-13(16-18(3,4)5)12(10-2)14(15)17-19(6,7)8/h12-13H,9-11H2,1-8H3
InChIKeyYVWOZXZLCPTSOH-UHFFFAOYSA-N
MW304.58 g/mol
LogP4.41
Rot. Bonds8

About trimethylsilyl 2-ethyl-3-trimethylsilyloxyhexanoate

trimethylsilyl 2-ethyl-3-trimethylsilyloxyhexanoate (PubChem CID 91718976) has the molecular formula C14H32O3Si2 and a molecular weight of 304.58 g/mol. Its IUPAC name is trimethylsilyl 2-ethyl-3-trimethylsilyloxyhexanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-ethyl-3-trimethylsilyloxyhexanoate
PubChem CID91718976
Molecular FormulaC14H32O3Si2
Molecular Weight304.58 g/mol
Exact Mass304.19
IUPAC Nametrimethylsilyl 2-ethyl-3-trimethylsilyloxyhexanoate
SMILESCCCC(O[Si](C)(C)C)C(CC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H32O3Si2/c1-9-11-13(16-18(3,4)5)12(10-2)14(15)17-19(6,7)8/h12-13H,9-11H2,1-8H3
InChIKeyYVWOZXZLCPTSOH-UHFFFAOYSA-N
XLogP4.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.58
LogP ≤ 54.41
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

2-Propyl-3-hydroxypentanoic acid, diTMS
CID 523703
3-Trimethylsiloxy(trimethylsilyl)caproate
CID 526006
Trimethylsilyl 2-methyl-3-[(trimethylsilyl)oxy]pentanoate
CID 528643
methyl (3R)-3-cyclohexyl-3-trimethylsilyloxypropanoate
CID 10967187
Pentanoic acid, 4-hydroxy-2-propyl, bis-TMS, # 1
CID 526140
2-Methyl-3-hydroxyvaleric acid, diTMS (1)
CID 91747802
2-Methyl-3-hydroxyvaleric acid, diTMS (2)
CID 91747803
Decanoic acid, 3-hydroxy-4-methyl, TBDMS, #1
CID 91753824
Ethyl 2-ethyl-3-trimethylsilyloxyvalerate
CID 552933
2-Ethyl-3-trimethylsilyloxy(trimethylsilyl)valerate
CID 552948
Trimethylsilyl 2-ethyl-3-trimethylsilyloxy-4-methyl-valerate
CID 553005
Trimethylsilyl 2,4-dimethyl-3-trimethylsilyloxypentanoate
CID 553014

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-ethyl-3-trimethylsilyloxyhexanoate?
The IUPAC name of trimethylsilyl 2-ethyl-3-trimethylsilyloxyhexanoate (CID 91718976) is trimethylsilyl 2-ethyl-3-trimethylsilyloxyhexanoate.
What is the SMILES notation for trimethylsilyl 2-ethyl-3-trimethylsilyloxyhexanoate?
The canonical SMILES for trimethylsilyl 2-ethyl-3-trimethylsilyloxyhexanoate is CCCC(O[Si](C)(C)C)C(CC)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-ethyl-3-trimethylsilyloxyhexanoate?
The InChIKey is YVWOZXZLCPTSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O3Si2/c1-9-11-13(16-18(3,4)5)12(10-2)14(15)17-19(6,7)8/h12-13H,9-11H2,1-8H3.
What are the key properties of trimethylsilyl 2-ethyl-3-trimethylsilyloxyhexanoate?
trimethylsilyl 2-ethyl-3-trimethylsilyloxyhexanoate has a molecular weight of 304.58 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-ethyl-3-trimethylsilyloxyhexanoate is sourced from PubChem (CID 91718976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).