tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate

C14H28O4Si — CID 10565326

IUPACtert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
SMILESCC(C)(C)OC(=O)C[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-13(2,3)17-12(16)9-11(10-15)18-19(7,8)14(4,5)6/h10-11H,9H2,1-8H3/t11-/m1/s1
InChIKeyRXRSZPPGYQXJJY-LLVKDONJSA-N
MW288.46 g/mol
LogP3.31
Rot. Bonds5

About tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate

tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate (PubChem CID 10565326) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
PubChem CID10565326
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Nametert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
SMILESCC(C)(C)OC(=O)C[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-13(2,3)17-12(16)9-11(10-15)18-19(7,8)14(4,5)6/h10-11H,9H2,1-8H3/t11-/m1/s1
InChIKeyRXRSZPPGYQXJJY-LLVKDONJSA-N
XLogP3.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
CID 15202310
2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanal
CID 87954580
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
methyl 9-[tert-butyl(dimethyl)silyl]oxy-10-oxodecanoate
CID 11843719
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 10401049
tert-butyl (3R,5R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-8,8-dimethyldec-9-enoate
CID 10993437
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate
CID 156749640
(E,2R,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-7-iodohept-6-enal
CID 101448696
2-[tert-butyl(dimethyl)silyl]oxytridecanal
CID 170917454
2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal
CID 58461604
1-O-benzyl 4-O-tert-butyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
CID 10786824

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate?
The IUPAC name of tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate (CID 10565326) is tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate.
What is the SMILES notation for tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate?
The canonical SMILES for tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate is CC(C)(C)OC(=O)C[C@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate?
The InChIKey is RXRSZPPGYQXJJY-LLVKDONJSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-13(2,3)17-12(16)9-11(10-15)18-19(7,8)14(4,5)6/h10-11H,9H2,1-8H3/t11-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate?
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate has a molecular weight of 288.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate is sourced from PubChem (CID 10565326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).