ethyl 3,4-dihydroxy-4-(3-trimethylsilylphenyl)butanoate

C15H24O4Si — CID 171897631

IUPACethyl 3,4-dihydroxy-4-(3-trimethylsilylphenyl)butanoate
SMILESCCOC(=O)CC(O)C(O)c1cccc([Si](C)(C)C)c1
InChIInChI=1S/C15H24O4Si/c1-5-19-14(17)10-13(16)15(18)11-7-6-8-12(9-11)20(2,3)4/h6-9,13,15-16,18H,5,10H2,1-4H3
InChIKeyKGBRHBAEOBVDTF-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.58
Rot. Bonds6

About ethyl 3,4-dihydroxy-4-(3-trimethylsilylphenyl)butanoate

ethyl 3,4-dihydroxy-4-(3-trimethylsilylphenyl)butanoate (PubChem CID 171897631) has the molecular formula C15H24O4Si and a molecular weight of 296.44 g/mol. Its IUPAC name is ethyl 3,4-dihydroxy-4-(3-trimethylsilylphenyl)butanoate.

Molecular Properties

Compound Nameethyl 3,4-dihydroxy-4-(3-trimethylsilylphenyl)butanoate
PubChem CID171897631
Molecular FormulaC15H24O4Si
Molecular Weight296.44 g/mol
Exact Mass296.14
IUPAC Nameethyl 3,4-dihydroxy-4-(3-trimethylsilylphenyl)butanoate
SMILESCCOC(=O)CC(O)C(O)c1cccc([Si](C)(C)C)c1
InChIInChI=1S/C15H24O4Si/c1-5-19-14(17)10-13(16)15(18)11-7-6-8-12(9-11)20(2,3)4/h6-9,13,15-16,18H,5,10H2,1-4H3
InChIKeyKGBRHBAEOBVDTF-UHFFFAOYSA-N
XLogP1.58
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[3-(chloromethyl)phenyl]-3,4-dihydroxybutanoate
CID 171896907
ethyl 4-(3-carbamothioylphenyl)-3,4-dihydroxybutanoate
CID 171897396
ethyl 4-[3-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutanoate
CID 171897778
ethyl 3,4-dihydroxy-4-[3-(2-hydroxyethyl)phenyl]butanoate
CID 171897327
ethyl 3,4-dihydroxy-4-[3-(2-oxopropyl)phenyl]butanoate
CID 171897723
3-[3-(4-ethoxy-1,2-dihydroxy-4-oxobutyl)phenyl]propanoic acid
CID 171897946
ethyl 4-(1,3-dioxo-2-benzofuran-5-yl)-3,4-dihydroxybutanoate
CID 171898129
ethyl 4-(2-bromo-4-pyridinyl)-3,4-dihydroxybutanoate
CID 171898443
ethyl 3,4-dihydroxy-4-(3-piperazin-1-ylphenyl)butanoate
CID 171898198
ethyl 3,4-dihydroxy-4-(4-hydroxyphenyl)butanoate
CID 171896820
ethyl 3,4-dihydroxy-4-quinolin-6-ylbutanoate
CID 171897595
4-(4-ethoxy-1,2-dihydroxy-4-oxobutyl)-2-methylbenzoic acid
CID 171897684

Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-dihydroxy-4-(3-trimethylsilylphenyl)butanoate?
The IUPAC name of ethyl 3,4-dihydroxy-4-(3-trimethylsilylphenyl)butanoate (CID 171897631) is ethyl 3,4-dihydroxy-4-(3-trimethylsilylphenyl)butanoate.
What is the SMILES notation for ethyl 3,4-dihydroxy-4-(3-trimethylsilylphenyl)butanoate?
The canonical SMILES for ethyl 3,4-dihydroxy-4-(3-trimethylsilylphenyl)butanoate is CCOC(=O)CC(O)C(O)c1cccc([Si](C)(C)C)c1.
What is the InChIKey of ethyl 3,4-dihydroxy-4-(3-trimethylsilylphenyl)butanoate?
The InChIKey is KGBRHBAEOBVDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4Si/c1-5-19-14(17)10-13(16)15(18)11-7-6-8-12(9-11)20(2,3)4/h6-9,13,15-16,18H,5,10H2,1-4H3.
What are the key properties of ethyl 3,4-dihydroxy-4-(3-trimethylsilylphenyl)butanoate?
ethyl 3,4-dihydroxy-4-(3-trimethylsilylphenyl)butanoate has a molecular weight of 296.44 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4-dihydroxy-4-(3-trimethylsilylphenyl)butanoate is sourced from PubChem (CID 171897631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).