2-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid

C12H24O3Si — CID 72969892

IUPAC2-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
SMILESC=CCCC(O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H24O3Si/c1-7-8-9-10(11(13)14)15-16(5,6)12(2,3)4/h7,10H,1,8-9H2,2-6H3,(H,13,14)
InChIKeyAWTKKHGQAASFOK-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.43
Rot. Bonds6

About 2-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid

2-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid (PubChem CID 72969892) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
PubChem CID72969892
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
SMILESC=CCCC(O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H24O3Si/c1-7-8-9-10(11(13)14)15-16(5,6)12(2,3)4/h7,10H,1,8-9H2,2-6H3,(H,13,14)
InChIKeyAWTKKHGQAASFOK-UHFFFAOYSA-N
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.43
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

(R)-3-(tert-Butyldimethylsilyloxy)-5-hexenoic acid
CID 14110578
5-Hexenoic acid, 2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (2R)-
CID 11459212
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 14110577
2-(((1,1-Dimethylethyl)dimethylsilyl)oxy)-3-butenoic acid
CID 86031337
(4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 72708009
(R)-2-((tert-butyldimethylsilyl)oxy)pent-4-enoic acid
CID 86714802
(S)-2-((tert-butyldimethylsilyl)oxy)pent-4-enoic acid
CID 86714996
(E)-2-[butyl(dimethyl)silyl]oxytridec-5-enoic acid
CID 89405999
(2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enoic acid
CID 90058278
2-[Tert-butyl(dimethyl)silyl]oxypent-4-enoic acid
CID 151661034
2-[Butyl(dimethyl)silyl]oxytridec-5-enoic acid
CID 173501500

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid (CID 72969892) is 2-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid is C=CCCC(O[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid?
The InChIKey is AWTKKHGQAASFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-7-8-9-10(11(13)14)15-16(5,6)12(2,3)4/h7,10H,1,8-9H2,2-6H3,(H,13,14).
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid?
2-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid has a molecular weight of 244.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid is sourced from PubChem (CID 72969892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).