2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid

C12H24O3Si — CID 123565815

IUPAC2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid
SMILESC=CC(C(=O)O)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-8-10(11(13)14)9(2)15-16(6,7)12(3,4)5/h8-10H,1H2,2-7H3,(H,13,14)
InChIKeyUFGLCJJSLNFHGF-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.28
Rot. Bonds5

About 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid

2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid (PubChem CID 123565815) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid.

Molecular Properties

Compound Name2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid
PubChem CID123565815
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid
SMILESC=CC(C(=O)O)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-8-10(11(13)14)9(2)15-16(6,7)12(3,4)5/h8-10H,1H2,2-7H3,(H,13,14)
InChIKeyUFGLCJJSLNFHGF-UHFFFAOYSA-N
XLogP3.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylbutanamide
CID 141326729
(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 14358757
tert-butyl-[(2S,3S)-3-ethenylhex-5-en-2-yl]oxy-dimethylsilane
CID 134863816
4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one
CID 553195
(3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-pyrrolidin-1-ylpent-4-en-1-one
CID 10425603
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 46918429
(3R,4S,5R,7S,8S,9R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7,9-tetramethylundeca-1,10-dien-6-one
CID 11648709
(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-one
CID 134970294
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
S-ethyl (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanethioate
CID 102374118

Frequently Asked Questions

What is the IUPAC name of 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid?
The IUPAC name of 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid (CID 123565815) is 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid.
What is the SMILES notation for 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid?
The canonical SMILES for 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid is C=CC(C(=O)O)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid?
The InChIKey is UFGLCJJSLNFHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-8-10(11(13)14)9(2)15-16(6,7)12(3,4)5/h8-10H,1H2,2-7H3,(H,13,14).
What are the key properties of 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid?
2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid has a molecular weight of 244.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid is sourced from PubChem (CID 123565815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).