[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] prop-2-enoate

C14H26O3Si — CID 11129394

IUPAC[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] prop-2-enoate
SMILESC=CC(=O)O[C@H](C)[C@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-9-12(11(3)16-13(15)10-2)17-18(7,8)14(4,5)6/h9-12H,1-2H2,3-8H3/t11-,12+/m1/s1
InChIKeyJSKPYWPDWCDNBI-NEPJUHHUSA-N
MW270.44 g/mol
LogP3.68
Rot. Bonds6

About [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] prop-2-enoate

[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] prop-2-enoate (PubChem CID 11129394) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] prop-2-enoate
PubChem CID11129394
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] prop-2-enoate
SMILESC=CC(=O)O[C@H](C)[C@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-9-12(11(3)16-13(15)10-2)17-18(7,8)14(4,5)6/h9-12H,1-2H2,3-8H3/t11-,12+/m1/s1
InChIKeyJSKPYWPDWCDNBI-NEPJUHHUSA-N
XLogP3.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.68
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
2(5H)-Furanone, 5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (S)-
CID 11042497
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10220446
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-6-one
CID 10955748
methyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 11097260
[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 11323534
[(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate
CID 11594572
ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 14260361
methyl (2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhepta-2,6-dienoate
CID 42599690
[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl] (E)-3-iodoprop-2-enoate
CID 46854982
2-(Trimethylsilylmethyl)penta-1,4-dien-3-yl acetate
CID 60203737
(2S,3S)-2-[(E)-prop-1-enyl]-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one
CID 100929418

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] prop-2-enoate?
The IUPAC name of [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] prop-2-enoate (CID 11129394) is [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] prop-2-enoate.
What is the SMILES notation for [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] prop-2-enoate?
The canonical SMILES for [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] prop-2-enoate is C=CC(=O)O[C@H](C)[C@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] prop-2-enoate?
The InChIKey is JSKPYWPDWCDNBI-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-9-12(11(3)16-13(15)10-2)17-18(7,8)14(4,5)6/h9-12H,1-2H2,3-8H3/t11-,12+/m1/s1.
What are the key properties of [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] prop-2-enoate?
[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] prop-2-enoate has a molecular weight of 270.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] prop-2-enoate is sourced from PubChem (CID 11129394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).