3-[methyl-bis(trimethylsilyloxy)silyl]propyl hexanoate

C16H38O4Si3 — CID 135061497

IUPAC3-[methyl-bis(trimethylsilyloxy)silyl]propyl hexanoate
SMILESCCCCCC(=O)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H38O4Si3/c1-9-10-11-13-16(17)18-14-12-15-23(8,19-21(2,3)4)20-22(5,6)7/h9-15H2,1-8H3
InChIKeyDVPKSAHVUNNXGQ-UHFFFAOYSA-N
MW378.73 g/mol
LogP5.28
Rot. Bonds12

About 3-[methyl-bis(trimethylsilyloxy)silyl]propyl hexanoate

3-[methyl-bis(trimethylsilyloxy)silyl]propyl hexanoate (PubChem CID 135061497) has the molecular formula C16H38O4Si3 and a molecular weight of 378.73 g/mol. Its IUPAC name is 3-[methyl-bis(trimethylsilyloxy)silyl]propyl hexanoate.

Molecular Properties

Compound Name3-[methyl-bis(trimethylsilyloxy)silyl]propyl hexanoate
PubChem CID135061497
Molecular FormulaC16H38O4Si3
Molecular Weight378.73 g/mol
Exact Mass378.21
IUPAC Name3-[methyl-bis(trimethylsilyloxy)silyl]propyl hexanoate
SMILESCCCCCC(=O)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H38O4Si3/c1-9-10-11-13-16(17)18-14-12-15-23(8,19-21(2,3)4)20-22(5,6)7/h9-15H2,1-8H3
InChIKeyDVPKSAHVUNNXGQ-UHFFFAOYSA-N
XLogP5.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.73
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

CID 156594837
CID 156594837
dihexyl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate
CID 10550612
Methyl 6-(tert-butyldimethylsilyloxy)hexanoate
CID 11747359
1,3-Bis(10-carbomethoxydecyl)tetramethyldisiloxane
CID 22278210
Ethyl 6-((tert-butyldimethylsilyl)oxy)hexanoate
CID 125473289
Propionyloxyhexyltriethoxysilane
CID 129851684
Methyl 4,4-difluoro-6-tri(propan-2-yl)silyloxyhexanoate
CID 177933462
Hexanedioic acid, bis(tert-butyldimethylsilyl) ester
CID 528567
Hexanoic acid, 2,3-bis-(OTMS) propyl ester (alpha-glyceryl caproate)
CID 91751334
[Tert-butyl(dimethyl)silyl] 6-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 15838476
dihexyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate
CID 10836417
Ethyl 2-trimethylsilylhexanoate
CID 12464153

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-bis(trimethylsilyloxy)silyl]propyl hexanoate?
The IUPAC name of 3-[methyl-bis(trimethylsilyloxy)silyl]propyl hexanoate (CID 135061497) is 3-[methyl-bis(trimethylsilyloxy)silyl]propyl hexanoate.
What is the SMILES notation for 3-[methyl-bis(trimethylsilyloxy)silyl]propyl hexanoate?
The canonical SMILES for 3-[methyl-bis(trimethylsilyloxy)silyl]propyl hexanoate is CCCCCC(=O)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 3-[methyl-bis(trimethylsilyloxy)silyl]propyl hexanoate?
The InChIKey is DVPKSAHVUNNXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38O4Si3/c1-9-10-11-13-16(17)18-14-12-15-23(8,19-21(2,3)4)20-22(5,6)7/h9-15H2,1-8H3.
What are the key properties of 3-[methyl-bis(trimethylsilyloxy)silyl]propyl hexanoate?
3-[methyl-bis(trimethylsilyloxy)silyl]propyl hexanoate has a molecular weight of 378.73 g/mol, XLogP of 5.28, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-bis(trimethylsilyloxy)silyl]propyl hexanoate is sourced from PubChem (CID 135061497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).