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

C12H24O4Si — CID 11276976

IUPACprop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropanoate
SMILESC=CCOC(=O)[C@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-7-8-15-11(14)10(9-13)16-17(5,6)12(2,3)4/h7,10,13H,1,8-9H2,2-6H3/t10-/m0/s1
InChIKeyGDHPWUSKLVHAIA-JTQLQIEISA-N
MW260.41 g/mol
LogP2.10
Rot. Bonds6

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

prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropanoate (PubChem CID 11276976) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropanoate.

Molecular Properties

Compound Nameprop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropanoate
PubChem CID11276976
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Nameprop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropanoate
SMILESC=CCOC(=O)[C@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-7-8-15-11(14)10(9-13)16-17(5,6)12(2,3)4/h7,10,13H,1,8-9H2,2-6H3/t10-/m0/s1
InChIKeyGDHPWUSKLVHAIA-JTQLQIEISA-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'}

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Related Compounds

prop-2-enyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate
CID 12179258
Prop-2-enyl 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate
CID 23251677
3-[Tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid
CID 87967479
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoic acid
CID 87967553
Ethoxyethane;prop-2-enyl 2,3-dihydroxypropanoate
CID 88053085
Ethanol;prop-2-enyl 2,3-dihydroxypropanoate
CID 88596690
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate
CID 91207977
2,3-dihydroxypropanoyl (E)-2-methyl-3-trimethylsilyloxyprop-2-enoate
CID 140373822
methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate
CID 140509933
[3-[Dimethyl(prop-2-enyl)silyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate
CID 171771422
prop-2-enyl (2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanoate
CID 12179271
methyl 2-[(2S)-but-3-en-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate
CID 15350846

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropanoate?
The IUPAC name of prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropanoate (CID 11276976) is prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropanoate.
What is the SMILES notation for prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropanoate?
The canonical SMILES for prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropanoate is C=CCOC(=O)[C@H](CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropanoate?
The InChIKey is GDHPWUSKLVHAIA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24O4Si/c1-7-8-15-11(14)10(9-13)16-17(5,6)12(2,3)4/h7,10,13H,1,8-9H2,2-6H3/t10-/m0/s1.
What are the key properties of prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropanoate?
prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-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 (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropanoate is sourced from PubChem (CID 11276976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).