[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate

C13H26O4Si — CID 46702477

IUPAC[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-13(2,3)18(5,6)17-11-9-7-8-10-16-12(14)15-4/h7-8H,9-11H2,1-6H3/b8-7+
InChIKeyLZRFSIYPMVEBCI-BQYQJAHWSA-N
MW274.43 g/mol
LogP3.74
Rot. Bonds6

About [(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate

[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate (PubChem CID 46702477) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is [(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate.

Molecular Properties

Compound Name[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate
PubChem CID46702477
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-13(2,3)18(5,6)17-11-9-7-8-10-16-12(14)15-4/h7-8H,9-11H2,1-6H3/b8-7+
InChIKeyLZRFSIYPMVEBCI-BQYQJAHWSA-N
XLogP3.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate
CID 15326321
[(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
methyl [(Z)-4-triethylsilyloxybut-2-enyl] carbonate
CID 101808141
[(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
(2E,4Z)-4-((tert-butyldimethylsilyl)oxy)nona-2,4,8-trien-1-yl methyl carbonate
CID 134813865
methyl [(E)-5-triethylsilyloxypent-2-enyl] carbonate
CID 139253695
methyl [(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] carbonate
CID 139253707
[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl] methyl carbonate
CID 176426920
[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] ethyl carbonate
CID 11129509
tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate
CID 59981762

Frequently Asked Questions

What is the IUPAC name of [(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate?
The IUPAC name of [(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate (CID 46702477) is [(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate.
What is the SMILES notation for [(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate?
The canonical SMILES for [(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate is COC(=O)OC/C=C/CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate?
The InChIKey is LZRFSIYPMVEBCI-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-13(2,3)18(5,6)17-11-9-7-8-10-16-12(14)15-4/h7-8H,9-11H2,1-6H3/b8-7+.
What are the key properties of [(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate?
[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate has a molecular weight of 274.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl] methyl carbonate is sourced from PubChem (CID 46702477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).