3-[(2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid

C14H26O5Si — CID 22859773

IUPAC3-[(2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](CCC(=O)O)OC1=O
InChIInChI=1S/C14H26O5Si/c1-14(2,3)20(4,5)19-11-8-6-10(18-13(11)17)7-9-12(15)16/h10-11H,6-9H2,1-5H3,(H,15,16)/t10-,11+/m1/s1
InChIKeyPWXGRIPPIGAUNQ-MNOVXSKESA-N
MW302.44 g/mol
LogP2.95
Rot. Bonds5

About 3-[(2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid

3-[(2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid (PubChem CID 22859773) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is 3-[(2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid
PubChem CID22859773
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name3-[(2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](CCC(=O)O)OC1=O
InChIInChI=1S/C14H26O5Si/c1-14(2,3)20(4,5)19-11-8-6-10(18-13(11)17)7-9-12(15)16/h10-11H,6-9H2,1-5H3,(H,15,16)/t10-,11+/m1/s1
InChIKeyPWXGRIPPIGAUNQ-MNOVXSKESA-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'}

Analyze 3-[(2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid?
The IUPAC name of 3-[(2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid (CID 22859773) is 3-[(2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid is CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](CCC(=O)O)OC1=O.
What is the InChIKey of 3-[(2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid?
The InChIKey is PWXGRIPPIGAUNQ-MNOVXSKESA-N. The full InChI is InChI=1S/C14H26O5Si/c1-14(2,3)20(4,5)19-11-8-6-10(18-13(11)17)7-9-12(15)16/h10-11H,6-9H2,1-5H3,(H,15,16)/t10-,11+/m1/s1.
What are the key properties of 3-[(2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid?
3-[(2R,5S)-5-[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-[(2R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]propanoic acid is sourced from PubChem (CID 22859773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).