tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxybutanoate

C18H32O5Si — CID 135068796

IUPACtert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxybutanoate
SMILESCC(C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(C)(O)c1ccco1
InChIInChI=1S/C18H32O5Si/c1-16(2,3)22-15(19)14(23-24(8,9)17(4,5)6)18(7,20)13-11-10-12-21-13/h10-12,14,20H,1-9H3
InChIKeyBPWNDDSTHLDDRI-UHFFFAOYSA-N
MW356.54 g/mol
LogP4.22
Rot. Bonds5

About tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxybutanoate

tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxybutanoate (PubChem CID 135068796) has the molecular formula C18H32O5Si and a molecular weight of 356.54 g/mol. Its IUPAC name is tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxybutanoate.

Molecular Properties

Compound Nametert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxybutanoate
PubChem CID135068796
Molecular FormulaC18H32O5Si
Molecular Weight356.54 g/mol
Exact Mass356.20
IUPAC Nametert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxybutanoate
SMILESCC(C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(C)(O)c1ccco1
InChIInChI=1S/C18H32O5Si/c1-16(2,3)22-15(19)14(23-24(8,9)17(4,5)6)18(7,20)13-11-10-12-21-13/h10-12,14,20H,1-9H3
InChIKeyBPWNDDSTHLDDRI-UHFFFAOYSA-N
XLogP4.22
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
tert-butyl 3,3-dichloro-2-(furan-2-yl)propanoate
CID 70473131
tert-butyl (2R,3R)-2-amino-3-(furan-2-yl)-3-hydroxypropanoate
CID 12071973
(2S)-2-(furan-2-ylmethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 91666114
ethyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-3-(2-hydroxyphenyl)propanoate
CID 153447732
tert-butyl N-[4-amino-2-(furan-2-yl)butan-2-yl]carbamate
CID 83693340
2-(furan-2-yl)propan-2-ol;methoxymethane
CID 174924617
[tert-butyl(dimethyl)silyl] furan-2-carboxylate
CID 580774
tert-butyl (2R,3R)-2-[(benzylamino)methyl]-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10069177
N-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(furan-2-yl)methyl]prop-2-enamide
CID 101089540
tert-butyl (2R)-2-(furan-2-ylmethylamino)propanoate
CID 103773961
ethyl 3-(furan-2-yl)-3-hydroxy-4-methylpentanoate
CID 121002413

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxybutanoate?
The IUPAC name of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxybutanoate (CID 135068796) is tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxybutanoate.
What is the SMILES notation for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxybutanoate?
The canonical SMILES for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxybutanoate is CC(C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(C)(O)c1ccco1.
What is the InChIKey of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxybutanoate?
The InChIKey is BPWNDDSTHLDDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O5Si/c1-16(2,3)22-15(19)14(23-24(8,9)17(4,5)6)18(7,20)13-11-10-12-21-13/h10-12,14,20H,1-9H3.
What are the key properties of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxybutanoate?
tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxybutanoate has a molecular weight of 356.54 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)-3-hydroxybutanoate is sourced from PubChem (CID 135068796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).