methyl [(E,3R)-1-trimethylsilyloct-1-en-3-yl] carbonate

C13H26O3Si — CID 10890591

IUPACmethyl [(E,3R)-1-trimethylsilyloct-1-en-3-yl] carbonate
SMILESCCCCC[C@H](/C=C/[Si](C)(C)C)OC(=O)OC
InChIInChI=1S/C13H26O3Si/c1-6-7-8-9-12(16-13(14)15-2)10-11-17(3,4)5/h10-12H,6-9H2,1-5H3/b11-10+/t12-/m1/s1
InChIKeyKOVWNYHMEUOVEZ-HCRIHEDKSA-N
MW258.43 g/mol
LogP4.15
Rot. Bonds7

About methyl [(E,3R)-1-trimethylsilyloct-1-en-3-yl] carbonate

methyl [(E,3R)-1-trimethylsilyloct-1-en-3-yl] carbonate (PubChem CID 10890591) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is methyl [(E,3R)-1-trimethylsilyloct-1-en-3-yl] carbonate.

Molecular Properties

Compound Namemethyl [(E,3R)-1-trimethylsilyloct-1-en-3-yl] carbonate
PubChem CID10890591
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Namemethyl [(E,3R)-1-trimethylsilyloct-1-en-3-yl] carbonate
SMILESCCCCC[C@H](/C=C/[Si](C)(C)C)OC(=O)OC
InChIInChI=1S/C13H26O3Si/c1-6-7-8-9-12(16-13(14)15-2)10-11-17(3,4)5/h10-12H,6-9H2,1-5H3/b11-10+/t12-/m1/s1
InChIKeyKOVWNYHMEUOVEZ-HCRIHEDKSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Hept-1-en-3-yl methyl carbonate
CID 14170338
Tert-butyl oct-1-en-3-yl carbonate
CID 87989403
Methyl non-1-en-3-yl carbonate
CID 102291111
Prop-2-enyl 1-trimethylsilylnon-2-yn-4-yl carbonate
CID 11975157
Ethyl hept-1-en-3-yl carbonate
CID 13164697
[(3R)-hept-1-en-3-yl] methyl carbonate
CID 14170339
Ethyl oct-1-en-3-yl carbonate
CID 15062958
methyl [(3S)-octa-1,7-dien-3-yl] carbonate
CID 102073387
methyl [(3R)-octa-1,7-dien-3-yl] carbonate
CID 102238794
Methyl oct-1-en-3-yl carbonate
CID 13355103
Ethyl nona-1,2-dien-4-yl carbonate
CID 20765132
Ethyl 8-trimethylsilyloct-1-en-7-yn-3-yl carbonate
CID 20765144

Frequently Asked Questions

What is the IUPAC name of methyl [(E,3R)-1-trimethylsilyloct-1-en-3-yl] carbonate?
The IUPAC name of methyl [(E,3R)-1-trimethylsilyloct-1-en-3-yl] carbonate (CID 10890591) is methyl [(E,3R)-1-trimethylsilyloct-1-en-3-yl] carbonate.
What is the SMILES notation for methyl [(E,3R)-1-trimethylsilyloct-1-en-3-yl] carbonate?
The canonical SMILES for methyl [(E,3R)-1-trimethylsilyloct-1-en-3-yl] carbonate is CCCCC[C@H](/C=C/[Si](C)(C)C)OC(=O)OC.
What is the InChIKey of methyl [(E,3R)-1-trimethylsilyloct-1-en-3-yl] carbonate?
The InChIKey is KOVWNYHMEUOVEZ-HCRIHEDKSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-6-7-8-9-12(16-13(14)15-2)10-11-17(3,4)5/h10-12H,6-9H2,1-5H3/b11-10+/t12-/m1/s1.
What are the key properties of methyl [(E,3R)-1-trimethylsilyloct-1-en-3-yl] carbonate?
methyl [(E,3R)-1-trimethylsilyloct-1-en-3-yl] carbonate has a molecular weight of 258.43 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(E,3R)-1-trimethylsilyloct-1-en-3-yl] carbonate is sourced from PubChem (CID 10890591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).