3-tri(propan-2-yl)silyloxypentanoic acid

C14H30O3Si — CID 56983939

IUPAC3-tri(propan-2-yl)silyloxypentanoic acid
SMILESCCC(CC(=O)O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H30O3Si/c1-8-13(9-14(15)16)17-18(10(2)3,11(4)5)12(6)7/h10-13H,8-9H2,1-7H3,(H,15,16)
InChIKeyJSLIBPAMJAQTPS-UHFFFAOYSA-N
MW274.48 g/mol
LogP4.43
Rot. Bonds8

About 3-tri(propan-2-yl)silyloxypentanoic acid

3-tri(propan-2-yl)silyloxypentanoic acid (PubChem CID 56983939) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is 3-tri(propan-2-yl)silyloxypentanoic acid.

Molecular Properties

Compound Name3-tri(propan-2-yl)silyloxypentanoic acid
PubChem CID56983939
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name3-tri(propan-2-yl)silyloxypentanoic acid
SMILESCCC(CC(=O)O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H30O3Si/c1-8-13(9-14(15)16)17-18(10(2)3,11(4)5)12(6)7/h10-13H,8-9H2,1-7H3,(H,15,16)
InChIKeyJSLIBPAMJAQTPS-UHFFFAOYSA-N
XLogP4.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 10868598
(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid
CID 10911032
3-[[(1,1-Dimethyl)dimethylsily]oxy]pentanedioic acid monomethyl ester
CID 10934717
(R)-3-(tert-Butyldimethylsilyloxy)butanoic acid
CID 11096091
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobutanoic acid
CID 88155890
3-Trimethylsiloxyvaleric acid, trimethylsilyl ester
CID 522723
3-Hydroxybutyric acid, mono-TBDMS # 1
CID 91752586
2-Methylbutanoic acid, 3-(t-butyldimethylsilyloxy)-
CID 554647
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoic acid
CID 135023452
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoic acid
CID 155931801
3-Tri(propan-2-yl)silyloxydec-5-ynoic acid
CID 10521150
Methyl 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-5-hydroxypentanoate
CID 13963137

Frequently Asked Questions

What is the IUPAC name of 3-tri(propan-2-yl)silyloxypentanoic acid?
The IUPAC name of 3-tri(propan-2-yl)silyloxypentanoic acid (CID 56983939) is 3-tri(propan-2-yl)silyloxypentanoic acid.
What is the SMILES notation for 3-tri(propan-2-yl)silyloxypentanoic acid?
The canonical SMILES for 3-tri(propan-2-yl)silyloxypentanoic acid is CCC(CC(=O)O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-tri(propan-2-yl)silyloxypentanoic acid?
The InChIKey is JSLIBPAMJAQTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-8-13(9-14(15)16)17-18(10(2)3,11(4)5)12(6)7/h10-13H,8-9H2,1-7H3,(H,15,16).
What are the key properties of 3-tri(propan-2-yl)silyloxypentanoic acid?
3-tri(propan-2-yl)silyloxypentanoic acid has a molecular weight of 274.48 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tri(propan-2-yl)silyloxypentanoic acid is sourced from PubChem (CID 56983939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).