tripropylsilyl 4-hydroxybutanoate

C13H28O3Si — CID 87706065

IUPACtripropylsilyl 4-hydroxybutanoate
SMILESCCC[Si](CCC)(CCC)OC(=O)CCCO
InChIInChI=1S/C13H28O3Si/c1-4-10-17(11-5-2,12-6-3)16-13(15)8-7-9-14/h14H,4-12H2,1-3H3
InChIKeyFYDNTPPRJJGYNL-UHFFFAOYSA-N
MW260.45 g/mol
LogP3.48
Rot. Bonds10

About tripropylsilyl 4-hydroxybutanoate

tripropylsilyl 4-hydroxybutanoate (PubChem CID 87706065) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is tripropylsilyl 4-hydroxybutanoate.

Molecular Properties

Compound Nametripropylsilyl 4-hydroxybutanoate
PubChem CID87706065
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Nametripropylsilyl 4-hydroxybutanoate
SMILESCCC[Si](CCC)(CCC)OC(=O)CCCO
InChIInChI=1S/C13H28O3Si/c1-4-10-17(11-5-2,12-6-3)16-13(15)8-7-9-14/h14H,4-12H2,1-3H3
InChIKeyFYDNTPPRJJGYNL-UHFFFAOYSA-N
XLogP3.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tripropylsilyl propanoate
CID 604402
tributylsilyl butanoate
CID 615215
trioctylsilyl 4-chlorobutanoate
CID 87706468
propanoyl 4-hydroxybutanoate
CID 88799917
triethylsilyl 4-bromobutanoate
CID 10945872
[dimethyl(propyl)silyl] 3-chloropropanoate
CID 141075999
hexadecyl 4-hydroxybutanoate
CID 14997818
tripropyl(tripropylsilyloxy)silane;undecan-1-ol
CID 22211793
trioctylsilyl 4-prop-2-enoyloxybutanoate
CID 141076015
2-(2-hydroxyethoxy)ethanol;propyl 4-hydroxybutanoate
CID 87568507
[hexyl(dimethyl)silyl] octadecanoate
CID 175031118
triethylsilyl 6-iodohexanoate
CID 10926360

Frequently Asked Questions

What is the IUPAC name of tripropylsilyl 4-hydroxybutanoate?
The IUPAC name of tripropylsilyl 4-hydroxybutanoate (CID 87706065) is tripropylsilyl 4-hydroxybutanoate.
What is the SMILES notation for tripropylsilyl 4-hydroxybutanoate?
The canonical SMILES for tripropylsilyl 4-hydroxybutanoate is CCC[Si](CCC)(CCC)OC(=O)CCCO.
What is the InChIKey of tripropylsilyl 4-hydroxybutanoate?
The InChIKey is FYDNTPPRJJGYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-4-10-17(11-5-2,12-6-3)16-13(15)8-7-9-14/h14H,4-12H2,1-3H3.
What are the key properties of tripropylsilyl 4-hydroxybutanoate?
tripropylsilyl 4-hydroxybutanoate has a molecular weight of 260.45 g/mol, XLogP of 3.48, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tripropylsilyl 4-hydroxybutanoate is sourced from PubChem (CID 87706065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).