tert-butyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate

C15H32O4Si — CID 162715349

IUPACtert-butyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate
SMILESCC(C)(C)OC(=O)[C@@H](CCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O4Si/c1-14(2,3)18-13(17)12(10-9-11-16)19-20(7,8)15(4,5)6/h12,16H,9-11H2,1-8H3/t12-/m1/s1
InChIKeyAXMHVYYJMQPAHH-GFCCVEGCSA-N
MW304.50 g/mol
LogP3.49
Rot. Bonds6

About tert-butyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate

tert-butyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate (PubChem CID 162715349) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is tert-butyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate
PubChem CID162715349
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Nametert-butyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate
SMILESCC(C)(C)OC(=O)[C@@H](CCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O4Si/c1-14(2,3)18-13(17)12(10-9-11-16)19-20(7,8)15(4,5)6/h12,16H,9-11H2,1-8H3/t12-/m1/s1
InChIKeyAXMHVYYJMQPAHH-GFCCVEGCSA-N
XLogP3.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one
CID 10633359
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 170984798
3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-one
CID 46237114
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol
CID 71401033
(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-10-hydroxy-2,4,6-trimethyldecan-3-one
CID 11067932
tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydrazinyl-3-oxopropyl]carbamate
CID 153328579
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 590026
tert-butyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 10062769
(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid
CID 87507546
(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-1-ol
CID 10595476
2-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoic acid
CID 154140046

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate?
The IUPAC name of tert-butyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate (CID 162715349) is tert-butyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate.
What is the SMILES notation for tert-butyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate?
The canonical SMILES for tert-butyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate is CC(C)(C)OC(=O)[C@@H](CCCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate?
The InChIKey is AXMHVYYJMQPAHH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-14(2,3)18-13(17)12(10-9-11-16)19-20(7,8)15(4,5)6/h12,16H,9-11H2,1-8H3/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate?
tert-butyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate has a molecular weight of 304.50 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate is sourced from PubChem (CID 162715349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).