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

C12H24O3Si — CID 11149233

IUPAC(E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
SMILESC[C@@H](C/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-10(8-7-9-11(13)14)15-16(5,6)12(2,3)4/h7,9-10H,8H2,1-6H3,(H,13,14)/b9-7+/t10-/m0/s1
InChIKeyDAHNOIMDEUNRHA-PCYYEKQGSA-N
MW244.41 g/mol
LogP3.43
Rot. Bonds5

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

(E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid (PubChem CID 11149233) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid.

Molecular Properties

Compound Name(E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
PubChem CID11149233
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
SMILESC[C@@H](C/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-10(8-7-9-11(13)14)15-16(5,6)12(2,3)4/h7,9-10H,8H2,1-6H3,(H,13,14)/b9-7+/t10-/m0/s1
InChIKeyDAHNOIMDEUNRHA-PCYYEKQGSA-N
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
CID 71354514
(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
CID 5371565
tert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane
CID 54066938
4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 85272131
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 87108753
(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid
CID 87677044
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
CID 102285060
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5,5-dimethylhex-2-enoic acid
CID 87423006
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol
CID 71401033
3-[tert-butyl(dimethyl)silyl]oxybutaneperoxoic acid
CID 76827468
2-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one
CID 173049340

Frequently Asked Questions

What is the IUPAC name of (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid?
The IUPAC name of (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid (CID 11149233) is (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid.
What is the SMILES notation for (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid?
The canonical SMILES for (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid is C[C@@H](C/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid?
The InChIKey is DAHNOIMDEUNRHA-PCYYEKQGSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-10(8-7-9-11(13)14)15-16(5,6)12(2,3)4/h7,9-10H,8H2,1-6H3,(H,13,14)/b9-7+/t10-/m0/s1.
What are the key properties of (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid?
(E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid has a molecular weight of 244.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid is sourced from PubChem (CID 11149233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).