(1-hydroxy-2-trimethylsilylethyl) 2-methylprop-2-enoate

C9H18O3Si — CID 54055275

IUPAC(1-hydroxy-2-trimethylsilylethyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(O)C[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-7(2)9(11)12-8(10)6-13(3,4)5/h8,10H,1,6H2,2-5H3
InChIKeyLVUISHKYWSDTOQ-UHFFFAOYSA-N
MW202.33 g/mol
LogP1.76
Rot. Bonds4

About (1-hydroxy-2-trimethylsilylethyl) 2-methylprop-2-enoate

(1-hydroxy-2-trimethylsilylethyl) 2-methylprop-2-enoate (PubChem CID 54055275) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is (1-hydroxy-2-trimethylsilylethyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1-hydroxy-2-trimethylsilylethyl) 2-methylprop-2-enoate
PubChem CID54055275
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Name(1-hydroxy-2-trimethylsilylethyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(O)C[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-7(2)9(11)12-8(10)6-13(3,4)5/h8,10H,1,6H2,2-5H3
InChIKeyLVUISHKYWSDTOQ-UHFFFAOYSA-N
XLogP1.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 88713969
1-hydroxydocosyl 2-methylprop-2-enoate
CID 140734527
propan-2-yl 2-methylprop-2-enoate
CID 146421311
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
2-methylprop-2-enoic acid;propan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate
CID 160722442
1-hydroxypentyl 2-methylprop-2-enoate;phosphoric acid
CID 175051350
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
(1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 54304297
trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
CID 154142538
[3-(dimethylazaniumyl)-2-(2-methylprop-2-enoyloxy)propyl]-dimethylazanium
CID 154612003
1,2,3-trihydroxypropyl 2-methylprop-2-enoate
CID 21401083
1-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174689374

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2-trimethylsilylethyl) 2-methylprop-2-enoate?
The IUPAC name of (1-hydroxy-2-trimethylsilylethyl) 2-methylprop-2-enoate (CID 54055275) is (1-hydroxy-2-trimethylsilylethyl) 2-methylprop-2-enoate.
What is the SMILES notation for (1-hydroxy-2-trimethylsilylethyl) 2-methylprop-2-enoate?
The canonical SMILES for (1-hydroxy-2-trimethylsilylethyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(O)C[Si](C)(C)C.
What is the InChIKey of (1-hydroxy-2-trimethylsilylethyl) 2-methylprop-2-enoate?
The InChIKey is LVUISHKYWSDTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-7(2)9(11)12-8(10)6-13(3,4)5/h8,10H,1,6H2,2-5H3.
What are the key properties of (1-hydroxy-2-trimethylsilylethyl) 2-methylprop-2-enoate?
(1-hydroxy-2-trimethylsilylethyl) 2-methylprop-2-enoate has a molecular weight of 202.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2-trimethylsilylethyl) 2-methylprop-2-enoate is sourced from PubChem (CID 54055275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).