[3-[dimethyl(prop-2-enyl)silyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate

C12H22O4Si — CID 171771422

IUPAC[3-[dimethyl(prop-2-enyl)silyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate
SMILESC=CC[Si](C)(C)OCC(O)COC(=O)C(=C)C
InChIInChI=1S/C12H22O4Si/c1-6-7-17(4,5)16-9-11(13)8-15-12(14)10(2)3/h6,11,13H,1-2,7-9H2,3-5H3
InChIKeyDTBZENKXGOEEEZ-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.87
Rot. Bonds8

About [3-[dimethyl(prop-2-enyl)silyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate

[3-[dimethyl(prop-2-enyl)silyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate (PubChem CID 171771422) has the molecular formula C12H22O4Si and a molecular weight of 258.39 g/mol. Its IUPAC name is [3-[dimethyl(prop-2-enyl)silyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-[dimethyl(prop-2-enyl)silyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate
PubChem CID171771422
Molecular FormulaC12H22O4Si
Molecular Weight258.39 g/mol
Exact Mass258.13
IUPAC Name[3-[dimethyl(prop-2-enyl)silyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate
SMILESC=CC[Si](C)(C)OCC(O)COC(=O)C(=C)C
InChIInChI=1S/C12H22O4Si/c1-6-7-17(4,5)16-9-11(13)8-15-12(14)10(2)3/h6,11,13H,1-2,7-9H2,3-5H3
InChIKeyDTBZENKXGOEEEZ-UHFFFAOYSA-N
XLogP1.87
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.87
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[dimethyl(prop-2-enyl)silyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate?
The IUPAC name of [3-[dimethyl(prop-2-enyl)silyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate (CID 171771422) is [3-[dimethyl(prop-2-enyl)silyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-[dimethyl(prop-2-enyl)silyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-[dimethyl(prop-2-enyl)silyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate is C=CC[Si](C)(C)OCC(O)COC(=O)C(=C)C.
What is the InChIKey of [3-[dimethyl(prop-2-enyl)silyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate?
The InChIKey is DTBZENKXGOEEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4Si/c1-6-7-17(4,5)16-9-11(13)8-15-12(14)10(2)3/h6,11,13H,1-2,7-9H2,3-5H3.
What are the key properties of [3-[dimethyl(prop-2-enyl)silyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate?
[3-[dimethyl(prop-2-enyl)silyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate has a molecular weight of 258.39 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[dimethyl(prop-2-enyl)silyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 171771422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).