trimethylsilyl 2-(3-trimethylsilyloxypropyl)hexanoate

C15H34O3Si2 — CID 526138

IUPACtrimethylsilyl 2-(3-trimethylsilyloxypropyl)hexanoate
SMILESCCCCC(CCCO[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H34O3Si2/c1-8-9-11-14(15(16)18-20(5,6)7)12-10-13-17-19(2,3)4/h14H,8-13H2,1-7H3
InChIKeyWZRCQMLWORAPQH-UHFFFAOYSA-N
MW318.61 g/mol
LogP4.80
Rot. Bonds10

About trimethylsilyl 2-(3-trimethylsilyloxypropyl)hexanoate

trimethylsilyl 2-(3-trimethylsilyloxypropyl)hexanoate (PubChem CID 526138) has the molecular formula C15H34O3Si2 and a molecular weight of 318.61 g/mol. Its IUPAC name is trimethylsilyl 2-(3-trimethylsilyloxypropyl)hexanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-(3-trimethylsilyloxypropyl)hexanoate
PubChem CID526138
Molecular FormulaC15H34O3Si2
Molecular Weight318.61 g/mol
Exact Mass318.20
IUPAC Nametrimethylsilyl 2-(3-trimethylsilyloxypropyl)hexanoate
SMILESCCCCC(CCCO[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H34O3Si2/c1-8-9-11-14(15(16)18-20(5,6)7)12-10-13-17-19(2,3)4/h14H,8-13H2,1-7H3
InChIKeyWZRCQMLWORAPQH-UHFFFAOYSA-N
XLogP4.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.61
LogP ≤ 54.80
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'}

Analyze trimethylsilyl 2-(3-trimethylsilyloxypropyl)hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hexane-1,3-dicarboxylic acid, bis(trimethylsilyl) ester
CID 523702
2-Propyl-5-hydroxypentanoic acid, diTMS
CID 523705
Hexanoic acid, 2-propyl, TMS
CID 526139
Octanedioic acid, 3-methyl, bis-trimethylsilyl ester
CID 91751176
1,3,5-Pentanetricarboxylic acid tris(trimethylsilyl) ester
CID 101618131
9-Methylundecanoic acid trimethylsilyl ester
CID 101624417
Ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanoate
CID 10928192

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-(3-trimethylsilyloxypropyl)hexanoate?
The IUPAC name of trimethylsilyl 2-(3-trimethylsilyloxypropyl)hexanoate (CID 526138) is trimethylsilyl 2-(3-trimethylsilyloxypropyl)hexanoate.
What is the SMILES notation for trimethylsilyl 2-(3-trimethylsilyloxypropyl)hexanoate?
The canonical SMILES for trimethylsilyl 2-(3-trimethylsilyloxypropyl)hexanoate is CCCCC(CCCO[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-(3-trimethylsilyloxypropyl)hexanoate?
The InChIKey is WZRCQMLWORAPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O3Si2/c1-8-9-11-14(15(16)18-20(5,6)7)12-10-13-17-19(2,3)4/h14H,8-13H2,1-7H3.
What are the key properties of trimethylsilyl 2-(3-trimethylsilyloxypropyl)hexanoate?
trimethylsilyl 2-(3-trimethylsilyloxypropyl)hexanoate has a molecular weight of 318.61 g/mol, XLogP of 4.80, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-(3-trimethylsilyloxypropyl)hexanoate is sourced from PubChem (CID 526138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).