4-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid

C12H24O4Si — CID 168963273

IUPAC4-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1CCOCC1C(=O)O
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-10-6-7-15-8-9(10)11(13)14/h9-10H,6-8H2,1-5H3,(H,13,14)
InChIKeyLMGRIQXWPWHQHP-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.50
Rot. Bonds3

About 4-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid

4-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid (PubChem CID 168963273) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid
PubChem CID168963273
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1CCOCC1C(=O)O
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-10-6-7-15-8-9(10)11(13)14/h9-10H,6-8H2,1-5H3,(H,13,14)
InChIKeyLMGRIQXWPWHQHP-UHFFFAOYSA-N
XLogP2.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl (S)-3-(tert-butyldimethylsiloxy)glutarate
CID 4643315
(3S)-3-{[tert-Butyl(dimethyl)silyl]oxy}-5-ethoxy-5-oxopentanoic acid
CID 16212721
tert-butyl (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-(trifluoromethyl)pentanoate
CID 134943547
(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one
CID 10083872
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 10868598
3-[[(1,1-Dimethyl)dimethylsily]oxy]pentanedioic acid monomethyl ester
CID 10934717
ethyl (2R,3S,4S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 11257573
ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 11278132
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxan-2-one
CID 45103255
4-[Tert-butyl(dimethyl)silyl]oxy-3-methyloxan-2-one
CID 72833382
ethyl (2R,3S,4R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 101128514
ethyl (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 134856614

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid (CID 168963273) is 4-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid is CC(C)(C)[Si](C)(C)OC1CCOCC1C(=O)O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid?
The InChIKey is LMGRIQXWPWHQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-10-6-7-15-8-9(10)11(13)14/h9-10H,6-8H2,1-5H3,(H,13,14).
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid?
4-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid has a molecular weight of 260.41 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid is sourced from PubChem (CID 168963273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).