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

C11H22O3Si — CID 151661034

IUPAC2-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid
SMILESC=CCC(O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C11H22O3Si/c1-7-8-9(10(12)13)14-15(5,6)11(2,3)4/h7,9H,1,8H2,2-6H3,(H,12,13)
InChIKeyQWNQKVMYPNCZLC-UHFFFAOYSA-N
MW230.38 g/mol
LogP3.04
Rot. Bonds5

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

2-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid (PubChem CID 151661034) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid
PubChem CID151661034
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid
SMILESC=CCC(O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C11H22O3Si/c1-7-8-9(10(12)13)14-15(5,6)11(2,3)4/h7,9H,1,8H2,2-6H3,(H,12,13)
InChIKeyQWNQKVMYPNCZLC-UHFFFAOYSA-N
XLogP3.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 53.04
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

5-Hexenoic acid, 2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (2R)-
CID 11459212
2-(((1,1-Dimethylethyl)dimethylsilyl)oxy)-3-butenoic acid
CID 86031337
(E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enoic acid
CID 22456912
2-[Tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 72969892
2-[Tert-butyl(dimethyl)silyl]oxypent-3-enoic acid
CID 73886739
(R)-2-((tert-butyldimethylsilyl)oxy)pent-4-enoic acid
CID 86714802
(S)-2-((tert-butyldimethylsilyl)oxy)pent-4-enoic acid
CID 86714996
2-[Tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoic acid
CID 88283872
(2S)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enoic acid
CID 90058278
2-Trimethylsilyloxyhex-4-enoic acid
CID 123224261
Ethyl 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 171790674
(E)-2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid
CID 173134574

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid (CID 151661034) is 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid is C=CCC(O[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid?
The InChIKey is QWNQKVMYPNCZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-7-8-9(10(12)13)14-15(5,6)11(2,3)4/h7,9H,1,8H2,2-6H3,(H,12,13).
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid?
2-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid has a molecular weight of 230.38 g/mol, XLogP of 3.04, 5 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]oxypent-4-enoic acid is sourced from PubChem (CID 151661034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).