3-[4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid

C14H26O5Si — CID 91026521

IUPAC3-[4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid
SMILESCC(C)(C)[Si](C)(C)OC1CC(=O)OC(CCC(=O)O)C1
InChIInChI=1S/C14H26O5Si/c1-14(2,3)20(4,5)19-11-8-10(6-7-12(15)16)18-13(17)9-11/h10-11H,6-9H2,1-5H3,(H,15,16)
InChIKeyHWBBMMLDXFANKX-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.95
Rot. Bonds5

About 3-[4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid

3-[4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid (PubChem CID 91026521) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is 3-[4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid
PubChem CID91026521
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name3-[4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid
SMILESCC(C)(C)[Si](C)(C)OC1CC(=O)OC(CCC(=O)O)C1
InChIInChI=1S/C14H26O5Si/c1-14(2,3)20(4,5)19-11-8-10(6-7-12(15)16)18-13(17)9-11/h10-11H,6-9H2,1-5H3,(H,15,16)
InChIKeyHWBBMMLDXFANKX-UHFFFAOYSA-N
XLogP2.95
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R,6S)-4-(tert-butyldimethylsilyloxy)-6-(hydroxymethyl)-tetrahydropyran-2-one
CID 10659025
4-[Tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 15189735
6-t-Butyldimethylsilyloxymethyl-4-hydroxytetrahydropyran-2-one
CID 19389468
methyl 2-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate
CID 24949357
trans-(10S,12S)-10-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-12-methyl-oxacyclododecan-2-one
CID 102168650
3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoic acid
CID 134882512
methyl 2-[(6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate
CID 135013074
(4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methyloxan-2-one
CID 135037138
(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyoxan-2-one
CID 145945199
6-Hydroxymethyl-4-(tert-butyldimethylsilyloxy)-(4s,6r)-tetrahydro-2h-2-pyranone
CID 9943134
4-Hydroxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-one
CID 14760945
3-[(2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid
CID 22859773

Frequently Asked Questions

What is the IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid?
The IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid (CID 91026521) is 3-[4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid.
What is the SMILES notation for 3-[4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid?
The canonical SMILES for 3-[4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid is CC(C)(C)[Si](C)(C)OC1CC(=O)OC(CCC(=O)O)C1.
What is the InChIKey of 3-[4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid?
The InChIKey is HWBBMMLDXFANKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5Si/c1-14(2,3)20(4,5)19-11-8-10(6-7-12(15)16)18-13(17)9-11/h10-11H,6-9H2,1-5H3,(H,15,16).
What are the key properties of 3-[4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid?
3-[4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid has a molecular weight of 302.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid is sourced from PubChem (CID 91026521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).