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

C15H28O5Si — CID 68906977

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoic acid
SMILESCC(C)(C)[Si](C)(C)OC(CC(=O)O)CC1CCCC(=O)O1
InChIInChI=1S/C15H28O5Si/c1-15(2,3)21(4,5)20-12(10-13(16)17)9-11-7-6-8-14(18)19-11/h11-12H,6-10H2,1-5H3,(H,16,17)
InChIKeyYFLDFBPTHKROSU-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.34
Rot. Bonds6

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

3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoic acid (PubChem CID 68906977) has the molecular formula C15H28O5Si and a molecular weight of 316.47 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoic acid
PubChem CID68906977
Molecular FormulaC15H28O5Si
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoic acid
SMILESCC(C)(C)[Si](C)(C)OC(CC(=O)O)CC1CCCC(=O)O1
InChIInChI=1S/C15H28O5Si/c1-15(2,3)21(4,5)20-12(10-13(16)17)9-11-7-6-8-14(18)19-11/h11-12H,6-10H2,1-5H3,(H,16,17)
InChIKeyYFLDFBPTHKROSU-UHFFFAOYSA-N
XLogP3.34
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoic 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-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoic acid (CID 68906977) is 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoic acid is CC(C)(C)[Si](C)(C)OC(CC(=O)O)CC1CCCC(=O)O1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoic acid?
The InChIKey is YFLDFBPTHKROSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O5Si/c1-15(2,3)21(4,5)20-12(10-13(16)17)9-11-7-6-8-14(18)19-11/h11-12H,6-10H2,1-5H3,(H,16,17).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoic acid?
3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoic acid has a molecular weight of 316.47 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoic acid is sourced from PubChem (CID 68906977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).