4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid

C10H20O3Si — CID 85272131

IUPAC4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
SMILESCC(C)(C)[Si](C)(C)OCC=CC(=O)O
InChIInChI=1S/C10H20O3Si/c1-10(2,3)14(4,5)13-8-6-7-9(11)12/h6-7H,8H2,1-5H3,(H,11,12)
InChIKeyNJYVQYNUSUTVOJ-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.65
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid

4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid (PubChem CID 85272131) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
PubChem CID85272131
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
SMILESCC(C)(C)[Si](C)(C)OCC=CC(=O)O
InChIInChI=1S/C10H20O3Si/c1-10(2,3)14(4,5)13-8-6-7-9(11)12/h6-7H,8H2,1-5H3,(H,11,12)
InChIKeyNJYVQYNUSUTVOJ-UHFFFAOYSA-N
XLogP2.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 87108753
(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid
CID 87677044
(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid
CID 87313123
tert-butyl-[(E,4E)-4-(iodomethylidene)hex-2-enoxy]-dimethylsilane
CID 71530233
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoxy]-dimethylsilane
CID 123215238
N-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoyl]benzamide
CID 11324648
tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate
CID 59981762
(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
CID 71354514
[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl] acetate
CID 11054827
(E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
CID 11149233
tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane
CID 76815810
tert-butyl-[(Z)-5,5-dimethylhex-2-enoxy]-dimethylsilane
CID 58534802

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid (CID 85272131) is 4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid is CC(C)(C)[Si](C)(C)OCC=CC(=O)O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid?
The InChIKey is NJYVQYNUSUTVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-10(2,3)14(4,5)13-8-6-7-9(11)12/h6-7H,8H2,1-5H3,(H,11,12).
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid?
4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid has a molecular weight of 216.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid is sourced from PubChem (CID 85272131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).