trimethylsilyl 2-trimethylsilyloxyheptanoate

C13H30O3Si2 — CID 599253

IUPACtrimethylsilyl 2-trimethylsilyloxyheptanoate
SMILESCCCCCC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H30O3Si2/c1-8-9-10-11-12(15-17(2,3)4)13(14)16-18(5,6)7/h12H,8-11H2,1-7H3
InChIKeyFXVLWINZOXKBGW-UHFFFAOYSA-N
MW290.55 g/mol
LogP4.16
Rot. Bonds8

About trimethylsilyl 2-trimethylsilyloxyheptanoate

trimethylsilyl 2-trimethylsilyloxyheptanoate (PubChem CID 599253) has the molecular formula C13H30O3Si2 and a molecular weight of 290.55 g/mol. Its IUPAC name is trimethylsilyl 2-trimethylsilyloxyheptanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-trimethylsilyloxyheptanoate
PubChem CID599253
Molecular FormulaC13H30O3Si2
Molecular Weight290.55 g/mol
Exact Mass290.17
IUPAC Nametrimethylsilyl 2-trimethylsilyloxyheptanoate
SMILESCCCCCC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H30O3Si2/c1-8-9-10-11-12(15-17(2,3)4)13(14)16-18(5,6)7/h12H,8-11H2,1-7H3
InChIKeyFXVLWINZOXKBGW-UHFFFAOYSA-N
XLogP4.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.55
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Hexadecanoic acid, 2-[(trimethylsilyl)oxy]-, methyl ester
CID 524469
methyl (6S,7S,16S)-6,7,16-tris(trimethylsilyloxy)heptadecanoate
CID 162911043
Octadecanoic acid, 2-[(trimethylsilyl)oxy]-, methyl ester
CID 524479
Octadecanoic acid, 9,10-bis[(trimethylsilyl)oxy]-, methyl ester
CID 553462
Hexanoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 521552
2-Trimethylsiloxyvaleric acid, trimethylsilyl ester
CID 521692
alpha-Hydroxyarachidic acid, TMSi-Me
CID 524463
Methyl 2-[(trimethylsilyl)oxy]docosanoate
CID 524465
alpha-Hydroxycerotic acid, TMSi-Me
CID 524467
Tetracosanoic acid, 2-[(trimethylsilyl)oxy]-, methyl ester
CID 524471
Methyl 2-[(trimethylsilyl)oxy]pentacosanoate
CID 524475
Methyl 2-[(trimethylsilyl)oxy]tricosanoate
CID 524481

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-trimethylsilyloxyheptanoate?
The IUPAC name of trimethylsilyl 2-trimethylsilyloxyheptanoate (CID 599253) is trimethylsilyl 2-trimethylsilyloxyheptanoate.
What is the SMILES notation for trimethylsilyl 2-trimethylsilyloxyheptanoate?
The canonical SMILES for trimethylsilyl 2-trimethylsilyloxyheptanoate is CCCCCC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-trimethylsilyloxyheptanoate?
The InChIKey is FXVLWINZOXKBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O3Si2/c1-8-9-10-11-12(15-17(2,3)4)13(14)16-18(5,6)7/h12H,8-11H2,1-7H3.
What are the key properties of trimethylsilyl 2-trimethylsilyloxyheptanoate?
trimethylsilyl 2-trimethylsilyloxyheptanoate has a molecular weight of 290.55 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-trimethylsilyloxyheptanoate is sourced from PubChem (CID 599253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).