3-[ethoxy-(3-hydroxy-2,2-dimethylpropyl)silyl]propyl prop-2-enoate

C13H26O4Si — CID 175317789

IUPAC3-[ethoxy-(3-hydroxy-2,2-dimethylpropyl)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[SiH](CC(C)(C)CO)OCC
InChIInChI=1S/C13H26O4Si/c1-5-12(15)16-8-7-9-18(17-6-2)11-13(3,4)10-14/h5,14,18H,1,6-11H2,2-4H3
InChIKeyPGTTUZSCCNVFMM-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.88
Rot. Bonds10

About 3-[ethoxy-(3-hydroxy-2,2-dimethylpropyl)silyl]propyl prop-2-enoate

3-[ethoxy-(3-hydroxy-2,2-dimethylpropyl)silyl]propyl prop-2-enoate (PubChem CID 175317789) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is 3-[ethoxy-(3-hydroxy-2,2-dimethylpropyl)silyl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[ethoxy-(3-hydroxy-2,2-dimethylpropyl)silyl]propyl prop-2-enoate
PubChem CID175317789
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name3-[ethoxy-(3-hydroxy-2,2-dimethylpropyl)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[SiH](CC(C)(C)CO)OCC
InChIInChI=1S/C13H26O4Si/c1-5-12(15)16-8-7-9-18(17-6-2)11-13(3,4)10-14/h5,14,18H,1,6-11H2,2-4H3
InChIKeyPGTTUZSCCNVFMM-UHFFFAOYSA-N
XLogP1.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-diethoxysilylpropyl prop-2-enoate
CID 123313393
4-(3-hydroxy-2,2-dimethylpropoxy)carbonyloxybutyl prop-2-enoate
CID 141231799
2,2-bis(hydroxymethyl)propane-1,3-diol;pentyl prop-2-enoate
CID 160979540
ethane-1,2-diol;ethoxyethane;4-prop-2-enoyloxybutyl prop-2-enoate
CID 155023920
3-[methyl(silyl)silyl]propyl prop-2-enoate
CID 154347322
butyl prop-2-enoate;bis(ethyl prop-2-enoate)
CID 174617066
decan-1-ol;decyl prop-2-enoate
CID 158001479
10-hydroxydecyl prop-2-enoate
CID 14715958
2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87909374
11-hydroxyundecyl prop-2-enoate
CID 54223498
12-hydroxydodecyl prop-2-enoate
CID 19859974
19-hydroxynonadecyl prop-2-enoate
CID 20625688

Frequently Asked Questions

What is the IUPAC name of 3-[ethoxy-(3-hydroxy-2,2-dimethylpropyl)silyl]propyl prop-2-enoate?
The IUPAC name of 3-[ethoxy-(3-hydroxy-2,2-dimethylpropyl)silyl]propyl prop-2-enoate (CID 175317789) is 3-[ethoxy-(3-hydroxy-2,2-dimethylpropyl)silyl]propyl prop-2-enoate.
What is the SMILES notation for 3-[ethoxy-(3-hydroxy-2,2-dimethylpropyl)silyl]propyl prop-2-enoate?
The canonical SMILES for 3-[ethoxy-(3-hydroxy-2,2-dimethylpropyl)silyl]propyl prop-2-enoate is C=CC(=O)OCCC[SiH](CC(C)(C)CO)OCC.
What is the InChIKey of 3-[ethoxy-(3-hydroxy-2,2-dimethylpropyl)silyl]propyl prop-2-enoate?
The InChIKey is PGTTUZSCCNVFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-5-12(15)16-8-7-9-18(17-6-2)11-13(3,4)10-14/h5,14,18H,1,6-11H2,2-4H3.
What are the key properties of 3-[ethoxy-(3-hydroxy-2,2-dimethylpropyl)silyl]propyl prop-2-enoate?
3-[ethoxy-(3-hydroxy-2,2-dimethylpropyl)silyl]propyl prop-2-enoate has a molecular weight of 274.43 g/mol, XLogP of 1.88, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxy-(3-hydroxy-2,2-dimethylpropyl)silyl]propyl prop-2-enoate is sourced from PubChem (CID 175317789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).