ethyl 8-trimethylsilyloct-1-en-7-yn-3-yl carbonate

C14H24O3Si — CID 20765144

IUPACethyl 8-trimethylsilyloct-1-en-7-yn-3-yl carbonate
SMILESC=CC(CCCC#C[Si](C)(C)C)OC(=O)OCC
InChIInChI=1S/C14H24O3Si/c1-6-13(17-14(15)16-7-2)11-9-8-10-12-18(3,4)5/h6,13H,1,7-9,11H2,2-5H3
InChIKeyXGRXAINARKARLX-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.77
Rot. Bonds6

About ethyl 8-trimethylsilyloct-1-en-7-yn-3-yl carbonate

ethyl 8-trimethylsilyloct-1-en-7-yn-3-yl carbonate (PubChem CID 20765144) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is ethyl 8-trimethylsilyloct-1-en-7-yn-3-yl carbonate.

Molecular Properties

Compound Nameethyl 8-trimethylsilyloct-1-en-7-yn-3-yl carbonate
PubChem CID20765144
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Nameethyl 8-trimethylsilyloct-1-en-7-yn-3-yl carbonate
SMILESC=CC(CCCC#C[Si](C)(C)C)OC(=O)OCC
InChIInChI=1S/C14H24O3Si/c1-6-13(17-14(15)16-7-2)11-9-8-10-12-18(3,4)5/h6,13H,1,7-9,11H2,2-5H3
InChIKeyXGRXAINARKARLX-UHFFFAOYSA-N
XLogP3.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.77
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Prop-2-enyl 1-trimethylsilylnon-2-yn-4-yl carbonate
CID 11975157
[(4R,6S)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate
CID 139649640
[(4R,6R)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate
CID 139649642
[(4R,6R)-4,6-bis(methoxymethoxy)oct-7-en-1-ynyl]-trimethylsilane
CID 139649644
[(4R,6S)-4,6-bis(methoxymethoxy)oct-7-en-1-ynyl]-trimethylsilane
CID 139649649
methyl [(E,3R)-1-trimethylsilyloct-1-en-3-yl] carbonate
CID 10890591
Methyl 2-(triethylsilyl)hept-1-en-3-yl carbonate
CID 71342135
6-[Tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl ethyl carbonate
CID 101426672
Ethyl 2-triethylsilylhex-1-en-3-yl carbonate
CID 101489852

Frequently Asked Questions

What is the IUPAC name of ethyl 8-trimethylsilyloct-1-en-7-yn-3-yl carbonate?
The IUPAC name of ethyl 8-trimethylsilyloct-1-en-7-yn-3-yl carbonate (CID 20765144) is ethyl 8-trimethylsilyloct-1-en-7-yn-3-yl carbonate.
What is the SMILES notation for ethyl 8-trimethylsilyloct-1-en-7-yn-3-yl carbonate?
The canonical SMILES for ethyl 8-trimethylsilyloct-1-en-7-yn-3-yl carbonate is C=CC(CCCC#C[Si](C)(C)C)OC(=O)OCC.
What is the InChIKey of ethyl 8-trimethylsilyloct-1-en-7-yn-3-yl carbonate?
The InChIKey is XGRXAINARKARLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-6-13(17-14(15)16-7-2)11-9-8-10-12-18(3,4)5/h6,13H,1,7-9,11H2,2-5H3.
What are the key properties of ethyl 8-trimethylsilyloct-1-en-7-yn-3-yl carbonate?
ethyl 8-trimethylsilyloct-1-en-7-yn-3-yl carbonate has a molecular weight of 268.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-trimethylsilyloct-1-en-7-yn-3-yl carbonate is sourced from PubChem (CID 20765144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).