3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]pent-2-enoic acid

C17H26O3Si — CID 68579544

IUPAC3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]pent-2-enoic acid
SMILESCCC(=CC(=O)O)c1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C17H26O3Si/c1-7-13(12-16(18)19)14-9-8-10-15(11-14)20-21(5,6)17(2,3)4/h8-12H,7H2,1-6H3,(H,18,19)
InChIKeyWEIOQGHSTSMOSL-UHFFFAOYSA-N
MW306.48 g/mol
LogP4.95
Rot. Bonds5

About 3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]pent-2-enoic acid

3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]pent-2-enoic acid (PubChem CID 68579544) has the molecular formula C17H26O3Si and a molecular weight of 306.48 g/mol. Its IUPAC name is 3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]pent-2-enoic acid.

Molecular Properties

Compound Name3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]pent-2-enoic acid
PubChem CID68579544
Molecular FormulaC17H26O3Si
Molecular Weight306.48 g/mol
Exact Mass306.17
IUPAC Name3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]pent-2-enoic acid
SMILESCCC(=CC(=O)O)c1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C17H26O3Si/c1-7-13(12-16(18)19)14-9-8-10-15(11-14)20-21(5,6)17(2,3)4/h8-12H,7H2,1-6H3,(H,18,19)
InChIKeyWEIOQGHSTSMOSL-UHFFFAOYSA-N
XLogP4.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 54.95
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

tert-butyl-[3-[(3Z)-6,6-dibromohexa-3,5-dien-3-yl]phenoxy]-dimethylsilane
CID 87503870
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one
CID 15049953
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
2,2-difluoroethyl 3-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 19076715
(Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile
CID 23439964
4-[(E)-1-carboxybut-1-en-2-yl]benzoic acid
CID 83959454
1-(3-trimethylsilyloxyphenyl)ethanone
CID 606413
tert-butyl-(3-iodophenoxy)-dimethylsilane
CID 2757280
tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-4-[1-(3-hex-3-en-5-yn-3-ylphenoxy)ethyl]phenoxy]-dimethylsilane
CID 91565630
tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-4-[1-[3-[(E)-hex-3-en-5-yn-3-yl]phenoxy]ethyl]phenoxy]-dimethylsilane
CID 87503923
4-[2-adamantylidene-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methoxy]butanoic acid
CID 19064091
[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone
CID 91744472

Frequently Asked Questions

What is the IUPAC name of 3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]pent-2-enoic acid?
The IUPAC name of 3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]pent-2-enoic acid (CID 68579544) is 3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]pent-2-enoic acid.
What is the SMILES notation for 3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]pent-2-enoic acid?
The canonical SMILES for 3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]pent-2-enoic acid is CCC(=CC(=O)O)c1cccc(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of 3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]pent-2-enoic acid?
The InChIKey is WEIOQGHSTSMOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3Si/c1-7-13(12-16(18)19)14-9-8-10-15(11-14)20-21(5,6)17(2,3)4/h8-12H,7H2,1-6H3,(H,18,19).
What are the key properties of 3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]pent-2-enoic acid?
3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]pent-2-enoic acid has a molecular weight of 306.48 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]pent-2-enoic acid is sourced from PubChem (CID 68579544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).