[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate

C13H26O4Si — CID 15326321

IUPAC[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C/[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-11(9-8-10-16-12(14)15-5)17-18(6,7)13(2,3)4/h8-9,11H,10H2,1-7H3/b9-8+/t11-/m0/s1
InChIKeySHDCCNJXQPXUJI-FBOQAHMBSA-N
MW274.43 g/mol
LogP3.74
Rot. Bonds5

About [(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate

[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate (PubChem CID 15326321) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is [(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate.

Molecular Properties

Compound Name[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate
PubChem CID15326321
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C/[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-11(9-8-10-16-12(14)15-5)17-18(6,7)13(2,3)4/h8-9,11H,10H2,1-7H3/b9-8+/t11-/m0/s1
InChIKeySHDCCNJXQPXUJI-FBOQAHMBSA-N
XLogP3.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl] methyl carbonate
CID 24754552
[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] methyl carbonate
CID 45139529
[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate
CID 46702477
[(2E,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-2,5-dienyl] acetate
CID 91998780
[(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 101036593
methyl [(Z)-4-triethylsilyloxybut-2-enyl] carbonate
CID 101808141
[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102073389
[(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 102526053
[(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 102526055
(E)-4-((tert-butyldimethylsilyl)oxy)penta-2,4-dien-1-yl methyl carbonate
CID 134813783
(2E,4Z)-4-((tert-butyldimethylsilyl)oxy)nona-2,4-dien-1-yl methyl carbonate
CID 134813826
(2E,4Z)-4-((tert-butyldimethylsilyl)oxy)nona-2,4,8-trien-1-yl methyl carbonate
CID 134813865

Frequently Asked Questions

What is the IUPAC name of [(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate?
The IUPAC name of [(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate (CID 15326321) is [(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate.
What is the SMILES notation for [(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate?
The canonical SMILES for [(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate is COC(=O)OC/C=C/[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate?
The InChIKey is SHDCCNJXQPXUJI-FBOQAHMBSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-11(9-8-10-16-12(14)15-5)17-18(6,7)13(2,3)4/h8-9,11H,10H2,1-7H3/b9-8+/t11-/m0/s1.
What are the key properties of [(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate?
[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate has a molecular weight of 274.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate is sourced from PubChem (CID 15326321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).