prop-2-enyl 2-[4-(2-hydroxy-1-trimethylsilylethyl)phenoxy]acetate

C16H24O4Si — CID 11266832

IUPACprop-2-enyl 2-[4-(2-hydroxy-1-trimethylsilylethyl)phenoxy]acetate
SMILESC=CCOC(=O)COc1ccc(C(CO)[Si](C)(C)C)cc1
InChIInChI=1S/C16H24O4Si/c1-5-10-19-16(18)12-20-14-8-6-13(7-9-14)15(11-17)21(2,3)4/h5-9,15,17H,1,10-12H2,2-4H3
InChIKeyNQIUNFLMTWPZIN-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.75
Rot. Bonds8

About prop-2-enyl 2-[4-(2-hydroxy-1-trimethylsilylethyl)phenoxy]acetate

prop-2-enyl 2-[4-(2-hydroxy-1-trimethylsilylethyl)phenoxy]acetate (PubChem CID 11266832) has the molecular formula C16H24O4Si and a molecular weight of 308.45 g/mol. Its IUPAC name is prop-2-enyl 2-[4-(2-hydroxy-1-trimethylsilylethyl)phenoxy]acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-[4-(2-hydroxy-1-trimethylsilylethyl)phenoxy]acetate
PubChem CID11266832
Molecular FormulaC16H24O4Si
Molecular Weight308.45 g/mol
Exact Mass308.14
IUPAC Nameprop-2-enyl 2-[4-(2-hydroxy-1-trimethylsilylethyl)phenoxy]acetate
SMILESC=CCOC(=O)COc1ccc(C(CO)[Si](C)(C)C)cc1
InChIInChI=1S/C16H24O4Si/c1-5-10-19-16(18)12-20-14-8-6-13(7-9-14)15(11-17)21(2,3)4/h5-9,15,17H,1,10-12H2,2-4H3
InChIKeyNQIUNFLMTWPZIN-UHFFFAOYSA-N
XLogP2.75
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.75
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

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CID 19369048
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2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
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[4-(2-oxo-2-prop-2-enoxyethoxy)phenyl]methyl 3-(4-bromophenyl)-2-(4-methoxy-3-nitrophenyl)propanoate
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2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
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(1R)-1-(4-prop-2-enoxyphenyl)ethanamine
CID 63367601
3-methylbut-2-enyl 2-[4-[2-[4-[2-(3-methylbut-2-enoxy)-2-oxoethoxy]phenyl]propan-2-yl]phenoxy]acetate
CID 54224105
methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate
CID 43503745
(3S)-3-amino-4-(4-prop-2-enoxyphenyl)butan-2-one
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3-methylbutyl 2-(4-ethoxyphenoxy)acetate
CID 78832256

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[4-(2-hydroxy-1-trimethylsilylethyl)phenoxy]acetate?
The IUPAC name of prop-2-enyl 2-[4-(2-hydroxy-1-trimethylsilylethyl)phenoxy]acetate (CID 11266832) is prop-2-enyl 2-[4-(2-hydroxy-1-trimethylsilylethyl)phenoxy]acetate.
What is the SMILES notation for prop-2-enyl 2-[4-(2-hydroxy-1-trimethylsilylethyl)phenoxy]acetate?
The canonical SMILES for prop-2-enyl 2-[4-(2-hydroxy-1-trimethylsilylethyl)phenoxy]acetate is C=CCOC(=O)COc1ccc(C(CO)[Si](C)(C)C)cc1.
What is the InChIKey of prop-2-enyl 2-[4-(2-hydroxy-1-trimethylsilylethyl)phenoxy]acetate?
The InChIKey is NQIUNFLMTWPZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4Si/c1-5-10-19-16(18)12-20-14-8-6-13(7-9-14)15(11-17)21(2,3)4/h5-9,15,17H,1,10-12H2,2-4H3.
What are the key properties of prop-2-enyl 2-[4-(2-hydroxy-1-trimethylsilylethyl)phenoxy]acetate?
prop-2-enyl 2-[4-(2-hydroxy-1-trimethylsilylethyl)phenoxy]acetate has a molecular weight of 308.45 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[4-(2-hydroxy-1-trimethylsilylethyl)phenoxy]acetate is sourced from PubChem (CID 11266832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).