[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enyl] 2,2-dimethylpropanoate

C17H34O3Si — CID 11695353

IUPAC[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enyl] 2,2-dimethylpropanoate
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)COC(=O)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-11-14(20-21(9,10)17(6,7)8)13(2)12-19-15(18)16(3,4)5/h11,13-14H,1,12H2,2-10H3/t13-,14-/m0/s1
InChIKeyXBTUFQHWFZUVLU-KBPBESRZSA-N
MW314.54 g/mol
LogP4.79
Rot. Bonds6

About [(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enyl] 2,2-dimethylpropanoate

[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enyl] 2,2-dimethylpropanoate (PubChem CID 11695353) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is [(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enyl] 2,2-dimethylpropanoate
PubChem CID11695353
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enyl] 2,2-dimethylpropanoate
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)COC(=O)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-11-14(20-21(9,10)17(6,7)8)13(2)12-19-15(18)16(3,4)5/h11,13-14H,1,12H2,2-10H3/t13-,14-/m0/s1
InChIKeyXBTUFQHWFZUVLU-KBPBESRZSA-N
XLogP4.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-1-en-3-yl] propanoate
CID 134870694
[(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-4-enyl] 2,2-dimethylpropanoate
CID 134881042
[(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl] acetate
CID 134887120
Ethyl 3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate
CID 138976074
[(3R)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl] but-3-enoate
CID 56925503
Methyl 2,2-dimethyl-3-triethylsilyloxypent-4-enoate
CID 11558120
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
Ethyl 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 73193423
[(2R)-pent-4-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 123723735
Ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpent-4-enoate
CID 10827970
methyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enoate
CID 11353111
ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enoate
CID 11483446

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enyl] 2,2-dimethylpropanoate (CID 11695353) is [(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enyl] 2,2-dimethylpropanoate is C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)COC(=O)C(C)(C)C.
What is the InChIKey of [(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enyl] 2,2-dimethylpropanoate?
The InChIKey is XBTUFQHWFZUVLU-KBPBESRZSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-11-14(20-21(9,10)17(6,7)8)13(2)12-19-15(18)16(3,4)5/h11,13-14H,1,12H2,2-10H3/t13-,14-/m0/s1.
What are the key properties of [(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enyl] 2,2-dimethylpropanoate?
[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enyl] 2,2-dimethylpropanoate has a molecular weight of 314.54 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 11695353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).