(E,2R,3S)-5-[tert-butyl(dimethyl)silyl]-2,3-dimethylpent-4-enoic acid

C13H26O2Si — CID 13289142

IUPAC(E,2R,3S)-5-[tert-butyl(dimethyl)silyl]-2,3-dimethylpent-4-enoic acid
SMILESC[C@H](/C=C/[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O
InChIInChI=1S/C13H26O2Si/c1-10(11(2)12(14)15)8-9-16(6,7)13(3,4)5/h8-11H,1-7H3,(H,14,15)/b9-8+/t10-,11-/m1/s1
InChIKeyWZAHEOWZIMGKAW-WUNNSPOASA-N
MW242.44 g/mol
LogP3.95
Rot. Bonds4

About (E,2R,3S)-5-[tert-butyl(dimethyl)silyl]-2,3-dimethylpent-4-enoic acid

(E,2R,3S)-5-[tert-butyl(dimethyl)silyl]-2,3-dimethylpent-4-enoic acid (PubChem CID 13289142) has the molecular formula C13H26O2Si and a molecular weight of 242.44 g/mol. Its IUPAC name is (E,2R,3S)-5-[tert-butyl(dimethyl)silyl]-2,3-dimethylpent-4-enoic acid.

Molecular Properties

Compound Name(E,2R,3S)-5-[tert-butyl(dimethyl)silyl]-2,3-dimethylpent-4-enoic acid
PubChem CID13289142
Molecular FormulaC13H26O2Si
Molecular Weight242.44 g/mol
Exact Mass242.17
IUPAC Name(E,2R,3S)-5-[tert-butyl(dimethyl)silyl]-2,3-dimethylpent-4-enoic acid
SMILESC[C@H](/C=C/[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O
InChIInChI=1S/C13H26O2Si/c1-10(11(2)12(14)15)8-9-16(6,7)13(3,4)5/h8-11H,1-7H3,(H,14,15)/b9-8+/t10-,11-/m1/s1
InChIKeyWZAHEOWZIMGKAW-WUNNSPOASA-N
XLogP3.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl (E,2R)-5-[hydroxy(dimethyl)silyl]-2-methylpent-4-enoate
CID 44521629
methyl (3S)-3-[[tert-butyl(dimethyl)silyl]methyl]pent-4-enoate
CID 134893722
2-Methyl-4-pentenoic acid, trimethylsilyl ester
CID 552477
2-Methylpent-4-enoic acid,methyl(tetramethylene)silyl ester
CID 567524
3-(Trimethylsilyl)pent-4-enoic acid
CID 13525886
2-(Trimethylsilylmethyl)pent-4-enoic acid
CID 17978235
(E)-6-tri(propan-2-yl)silylhex-4-enoic acid
CID 57801794
6-(Triisopropylsilyl)-hex-4-enoic acid
CID 76614486
5-[Tert-butyl(dimethyl)silyl]oxypent-4-enoic acid
CID 87676790
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoic acid
CID 88283871
2-Trimethylsilylpent-4-enoic acid
CID 88333082
7-(2-Methylbutylsilyl)hept-4-enoic acid
CID 123210489

Frequently Asked Questions

What is the IUPAC name of (E,2R,3S)-5-[tert-butyl(dimethyl)silyl]-2,3-dimethylpent-4-enoic acid?
The IUPAC name of (E,2R,3S)-5-[tert-butyl(dimethyl)silyl]-2,3-dimethylpent-4-enoic acid (CID 13289142) is (E,2R,3S)-5-[tert-butyl(dimethyl)silyl]-2,3-dimethylpent-4-enoic acid.
What is the SMILES notation for (E,2R,3S)-5-[tert-butyl(dimethyl)silyl]-2,3-dimethylpent-4-enoic acid?
The canonical SMILES for (E,2R,3S)-5-[tert-butyl(dimethyl)silyl]-2,3-dimethylpent-4-enoic acid is C[C@H](/C=C/[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O.
What is the InChIKey of (E,2R,3S)-5-[tert-butyl(dimethyl)silyl]-2,3-dimethylpent-4-enoic acid?
The InChIKey is WZAHEOWZIMGKAW-WUNNSPOASA-N. The full InChI is InChI=1S/C13H26O2Si/c1-10(11(2)12(14)15)8-9-16(6,7)13(3,4)5/h8-11H,1-7H3,(H,14,15)/b9-8+/t10-,11-/m1/s1.
What are the key properties of (E,2R,3S)-5-[tert-butyl(dimethyl)silyl]-2,3-dimethylpent-4-enoic acid?
(E,2R,3S)-5-[tert-butyl(dimethyl)silyl]-2,3-dimethylpent-4-enoic acid has a molecular weight of 242.44 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3S)-5-[tert-butyl(dimethyl)silyl]-2,3-dimethylpent-4-enoic acid is sourced from PubChem (CID 13289142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).