(2,3-dihydroxy-1-trimethylsilylpropyl) prop-2-enoate

C9H18O4Si — CID 175874420

IUPAC(2,3-dihydroxy-1-trimethylsilylpropyl) prop-2-enoate
SMILESC=CC(=O)OC(C(O)CO)[Si](C)(C)C
InChIInChI=1S/C9H18O4Si/c1-5-8(12)13-9(7(11)6-10)14(2,3)4/h5,7,9-11H,1,6H2,2-4H3
InChIKeySHOJTHWMDDGTKB-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.31
Rot. Bonds5

About (2,3-dihydroxy-1-trimethylsilylpropyl) prop-2-enoate

(2,3-dihydroxy-1-trimethylsilylpropyl) prop-2-enoate (PubChem CID 175874420) has the molecular formula C9H18O4Si and a molecular weight of 218.32 g/mol. Its IUPAC name is (2,3-dihydroxy-1-trimethylsilylpropyl) prop-2-enoate.

Molecular Properties

Compound Name(2,3-dihydroxy-1-trimethylsilylpropyl) prop-2-enoate
PubChem CID175874420
Molecular FormulaC9H18O4Si
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name(2,3-dihydroxy-1-trimethylsilylpropyl) prop-2-enoate
SMILESC=CC(=O)OC(C(O)CO)[Si](C)(C)C
InChIInChI=1S/C9H18O4Si/c1-5-8(12)13-9(7(11)6-10)14(2,3)4/h5,7,9-11H,1,6H2,2-4H3
InChIKeySHOJTHWMDDGTKB-UHFFFAOYSA-N
XLogP0.31
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(2R,3R)-2,3,4-trihydroxybutyl] prop-2-enoate
CID 87646128
propane-1,2-diol;sulfanyl prop-2-enoate
CID 159132920
(2,3-dihydroxy-1-prop-2-enoylperoxypropyl) but-2-enoate
CID 141244199
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
ethane-1,1,2-triol;methyl prop-2-enoate
CID 161139379
[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] prop-2-enoate
CID 54377750
prop-2-enoic acid;3-propoxy-3-tris(trimethylsilyloxy)silylpropane-1,2-diol
CID 87223354
tetrakis((2S,3R)-butane-1,2,3,4-tetrol);[(2S,3R)-1,4-dihydroxy-3-propoxybutan-2-yl] prop-2-enoate;bis(prop-2-enoic acid)
CID 172699455
(2S,3R)-butane-1,2,3,4-tetrol;hexakis(prop-2-enoic acid)
CID 173101486
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
[(3R,4R)-3,4,5-trihydroxy-2-oxopentyl] prop-2-enoate
CID 87644162
[(2R,3R,4R,5R)-5-amino-1,2,3-trihydroxy-6,7-dioxonon-8-en-4-yl] prop-2-enoate
CID 126599530

Frequently Asked Questions

What is the IUPAC name of (2,3-dihydroxy-1-trimethylsilylpropyl) prop-2-enoate?
The IUPAC name of (2,3-dihydroxy-1-trimethylsilylpropyl) prop-2-enoate (CID 175874420) is (2,3-dihydroxy-1-trimethylsilylpropyl) prop-2-enoate.
What is the SMILES notation for (2,3-dihydroxy-1-trimethylsilylpropyl) prop-2-enoate?
The canonical SMILES for (2,3-dihydroxy-1-trimethylsilylpropyl) prop-2-enoate is C=CC(=O)OC(C(O)CO)[Si](C)(C)C.
What is the InChIKey of (2,3-dihydroxy-1-trimethylsilylpropyl) prop-2-enoate?
The InChIKey is SHOJTHWMDDGTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4Si/c1-5-8(12)13-9(7(11)6-10)14(2,3)4/h5,7,9-11H,1,6H2,2-4H3.
What are the key properties of (2,3-dihydroxy-1-trimethylsilylpropyl) prop-2-enoate?
(2,3-dihydroxy-1-trimethylsilylpropyl) prop-2-enoate has a molecular weight of 218.32 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dihydroxy-1-trimethylsilylpropyl) prop-2-enoate is sourced from PubChem (CID 175874420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).