prop-2-enyl 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate

C12H24O4Si — CID 23251677

IUPACprop-2-enyl 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate
SMILESC=CCOC(=O)C(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-7-8-15-11(14)10(13)9-16-17(5,6)12(2,3)4/h7,10,13H,1,8-9H2,2-6H3
InChIKeyRWLCLJHKSKQQKC-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.10
Rot. Bonds6

About prop-2-enyl 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate

prop-2-enyl 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate (PubChem CID 23251677) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is prop-2-enyl 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate.

Molecular Properties

Compound Nameprop-2-enyl 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate
PubChem CID23251677
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Nameprop-2-enyl 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate
SMILESC=CCOC(=O)C(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-7-8-15-11(14)10(13)9-16-17(5,6)12(2,3)4/h7,10,13H,1,8-9H2,2-6H3
InChIKeyRWLCLJHKSKQQKC-UHFFFAOYSA-N
XLogP2.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze prop-2-enyl 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate 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 prop-2-enyl 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate?
The IUPAC name of prop-2-enyl 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate (CID 23251677) is prop-2-enyl 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate.
What is the SMILES notation for prop-2-enyl 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate?
The canonical SMILES for prop-2-enyl 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate is C=CCOC(=O)C(O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of prop-2-enyl 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate?
The InChIKey is RWLCLJHKSKQQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-7-8-15-11(14)10(13)9-16-17(5,6)12(2,3)4/h7,10,13H,1,8-9H2,2-6H3.
What are the key properties of prop-2-enyl 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate?
prop-2-enyl 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate has a molecular weight of 260.41 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate is sourced from PubChem (CID 23251677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).