ethyl 1-trimethylsilylhept-1-yn-3-yl carbonate

C13H24O3Si — CID 10988906

IUPACethyl 1-trimethylsilylhept-1-yn-3-yl carbonate
SMILESCCCCC(C#C[Si](C)(C)C)OC(=O)OCC
InChIInChI=1S/C13H24O3Si/c1-6-8-9-12(10-11-17(3,4)5)16-13(14)15-7-2/h12H,6-9H2,1-5H3
InChIKeyCKYKAPKSYVWHAK-UHFFFAOYSA-N
MW256.42 g/mol
LogP3.60
Rot. Bonds5

About ethyl 1-trimethylsilylhept-1-yn-3-yl carbonate

ethyl 1-trimethylsilylhept-1-yn-3-yl carbonate (PubChem CID 10988906) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is ethyl 1-trimethylsilylhept-1-yn-3-yl carbonate.

Molecular Properties

Compound Nameethyl 1-trimethylsilylhept-1-yn-3-yl carbonate
PubChem CID10988906
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Nameethyl 1-trimethylsilylhept-1-yn-3-yl carbonate
SMILESCCCCC(C#C[Si](C)(C)C)OC(=O)OCC
InChIInChI=1S/C13H24O3Si/c1-6-8-9-12(10-11-17(3,4)5)16-13(14)15-7-2/h12H,6-9H2,1-5H3
InChIKeyCKYKAPKSYVWHAK-UHFFFAOYSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-1-cyanohexyl] ethyl carbonate
CID 11492118
[(1R)-1-cyanohexyl] ethyl carbonate
CID 101208151
ethyl oct-1-yn-3-yl carbonate
CID 15190953
(3S)-1-trimethylsilylhept-1-yn-3-ol
CID 12623486
ethyl 2-(1-ethoxycarbonyloxyethyl)hexanoate
CID 134283844
ethyl 2-butyl-3-ethoxycarbonyloxyheptanoate
CID 122517268
diethyl 2-[(1S,2R)-1-(4-bromophenyl)-2-(2-trimethylsilylethynyl)hexyl]propanedioate
CID 11225682
2-(1-ethoxycarbonyloxyethyl)hexanoic acid
CID 122517241
ethyl 3-ethoxycarbonyloxy-2,2-bis(2-methylpropyl)heptanoate
CID 122517299
ethane;ethyl heptan-4-yl carbonate
CID 143752690
ethyl 2-(trimethylsilylmethyl)hexanoate
CID 10014095
diethyl 2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 11460565

Frequently Asked Questions

What is the IUPAC name of ethyl 1-trimethylsilylhept-1-yn-3-yl carbonate?
The IUPAC name of ethyl 1-trimethylsilylhept-1-yn-3-yl carbonate (CID 10988906) is ethyl 1-trimethylsilylhept-1-yn-3-yl carbonate.
What is the SMILES notation for ethyl 1-trimethylsilylhept-1-yn-3-yl carbonate?
The canonical SMILES for ethyl 1-trimethylsilylhept-1-yn-3-yl carbonate is CCCCC(C#C[Si](C)(C)C)OC(=O)OCC.
What is the InChIKey of ethyl 1-trimethylsilylhept-1-yn-3-yl carbonate?
The InChIKey is CKYKAPKSYVWHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-6-8-9-12(10-11-17(3,4)5)16-13(14)15-7-2/h12H,6-9H2,1-5H3.
What are the key properties of ethyl 1-trimethylsilylhept-1-yn-3-yl carbonate?
ethyl 1-trimethylsilylhept-1-yn-3-yl carbonate has a molecular weight of 256.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-trimethylsilylhept-1-yn-3-yl carbonate is sourced from PubChem (CID 10988906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).