3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]-3-hydroxypropanoic acid

C14H28O4Si — CID 57039574

IUPAC3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]-3-hydroxypropanoic acid
SMILESCC(C)(C)[Si](C)(C)OCC1(C(O)CC(=O)O)CCC1
InChIInChI=1S/C14H28O4Si/c1-13(2,3)19(4,5)18-10-14(7-6-8-14)11(15)9-12(16)17/h11,15H,6-10H2,1-5H3,(H,16,17)
InChIKeyXSJPSXVSLLVJPR-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.01
Rot. Bonds6

About 3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]-3-hydroxypropanoic acid

3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]-3-hydroxypropanoic acid (PubChem CID 57039574) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is 3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]-3-hydroxypropanoic acid
PubChem CID57039574
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]-3-hydroxypropanoic acid
SMILESCC(C)(C)[Si](C)(C)OCC1(C(O)CC(=O)O)CCC1
InChIInChI=1S/C14H28O4Si/c1-13(2,3)19(4,5)18-10-14(7-6-8-14)11(15)9-12(16)17/h11,15H,6-10H2,1-5H3,(H,16,17)
InChIKeyXSJPSXVSLLVJPR-UHFFFAOYSA-N
XLogP3.01
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3s)-3-(Tert-butyl-dimethyl-silanyloxy)-4,4-dimethyl-5-oxo-heptanoic acid
CID 9966179
(2S,3S,5R,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,5,8,8-tetramethylnonanoic acid
CID 44131793
3-[Tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanoic acid
CID 12080794
3-[Ethyl(dimethyl)silyl]oxy-3-(1-propanoylcyclobutyl)propanoic acid
CID 22244417
3-[1-(2,3-Dimethylbutan-2-ylsilyloxymethyl)cyclobutyl]-3-hydroxypropanoic acid
CID 123395543
3-[Tert-butyl(dimethyl)silyl]oxy-5-hydroxyheptanedioic acid
CID 140357816
3-[Tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-oxoheptanoic acid
CID 141091505
4-[Tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclohexane-1-carboxylic acid
CID 141676816
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanoic acid;sulfane
CID 161056057
2-[Tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutane-1-carboxylic acid
CID 175398505
4-[Tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid
CID 175981383
(3R)-3-(1-ethylcyclobutyl)-3-hydroxypropanoic acid
CID 165624857

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]-3-hydroxypropanoic acid?
The IUPAC name of 3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]-3-hydroxypropanoic acid (CID 57039574) is 3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]-3-hydroxypropanoic acid.
What is the SMILES notation for 3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]-3-hydroxypropanoic acid?
The canonical SMILES for 3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]-3-hydroxypropanoic acid is CC(C)(C)[Si](C)(C)OCC1(C(O)CC(=O)O)CCC1.
What is the InChIKey of 3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]-3-hydroxypropanoic acid?
The InChIKey is XSJPSXVSLLVJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-13(2,3)19(4,5)18-10-14(7-6-8-14)11(15)9-12(16)17/h11,15H,6-10H2,1-5H3,(H,16,17).
What are the key properties of 3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]-3-hydroxypropanoic acid?
3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]-3-hydroxypropanoic acid has a molecular weight of 288.46 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]-3-hydroxypropanoic acid is sourced from PubChem (CID 57039574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).