benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2,2-diethoxypropanoate

C20H34O5Si — CID 68852687

IUPACbenzyl 3-[tert-butyl(dimethyl)silyl]oxy-2,2-diethoxypropanoate
SMILESCCOC(CO[Si](C)(C)C(C)(C)C)(OCC)C(=O)OCc1ccccc1
InChIInChI=1S/C20H34O5Si/c1-8-23-20(24-9-2,16-25-26(6,7)19(3,4)5)18(21)22-15-17-13-11-10-12-14-17/h10-14H,8-9,15-16H2,1-7H3
InChIKeyMDRWRVPXPSANQJ-UHFFFAOYSA-N
MW382.57 g/mol
LogP4.52
Rot. Bonds10

About benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2,2-diethoxypropanoate

benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2,2-diethoxypropanoate (PubChem CID 68852687) has the molecular formula C20H34O5Si and a molecular weight of 382.57 g/mol. Its IUPAC name is benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2,2-diethoxypropanoate.

Molecular Properties

Compound Namebenzyl 3-[tert-butyl(dimethyl)silyl]oxy-2,2-diethoxypropanoate
PubChem CID68852687
Molecular FormulaC20H34O5Si
Molecular Weight382.57 g/mol
Exact Mass382.22
IUPAC Namebenzyl 3-[tert-butyl(dimethyl)silyl]oxy-2,2-diethoxypropanoate
SMILESCCOC(CO[Si](C)(C)C(C)(C)C)(OCC)C(=O)OCc1ccccc1
InChIInChI=1S/C20H34O5Si/c1-8-23-20(24-9-2,16-25-26(6,7)19(3,4)5)18(21)22-15-17-13-11-10-12-14-17/h10-14H,8-9,15-16H2,1-7H3
InChIKeyMDRWRVPXPSANQJ-UHFFFAOYSA-N
XLogP4.52
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzyl 3-(3-acetamidopropylsulfonyloxy)-2,2-diethoxypropanoate
CID 25226464
benzyl (2S)-2-amino-2-methylbutanoate
CID 15660566
benzyl 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylpentanoate
CID 156621112
benzyl 2-amino-2-hydroxypropanoate
CID 67630480
3-O-benzyl 1-O-ethyl (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-1,3-dicarboxylate
CID 10410733
benzyl 2-amino-2-methylpentanoate
CID 61276990
ethyl 2-hydroxy-2-phenylmethoxypropanoate
CID 18454908
benzyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybenzoate
CID 19372203
1-O-benzyl 4-O-ethyl (2S)-2-amino-2-methylbutanedioate
CID 101047093
benzyl (E)-2-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 132540362
benzyl (2R,3R,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,4,5-trihydroxypiperidine-1-carboxylate
CID 11178555
benzyl 2-amino-2-phenylpropanoate
CID 54322564

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2,2-diethoxypropanoate?
The IUPAC name of benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2,2-diethoxypropanoate (CID 68852687) is benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2,2-diethoxypropanoate.
What is the SMILES notation for benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2,2-diethoxypropanoate?
The canonical SMILES for benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2,2-diethoxypropanoate is CCOC(CO[Si](C)(C)C(C)(C)C)(OCC)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2,2-diethoxypropanoate?
The InChIKey is MDRWRVPXPSANQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O5Si/c1-8-23-20(24-9-2,16-25-26(6,7)19(3,4)5)18(21)22-15-17-13-11-10-12-14-17/h10-14H,8-9,15-16H2,1-7H3.
What are the key properties of benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2,2-diethoxypropanoate?
benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2,2-diethoxypropanoate has a molecular weight of 382.57 g/mol, XLogP of 4.52, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[tert-butyl(dimethyl)silyl]oxy-2,2-diethoxypropanoate is sourced from PubChem (CID 68852687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).