ethyl 2-triethylsilylhex-1-en-3-yl carbonate

C15H30O3Si — CID 101489852

IUPACethyl 2-triethylsilylhex-1-en-3-yl carbonate
SMILESC=C(C(CCC)OC(=O)OCC)[Si](CC)(CC)CC
InChIInChI=1S/C15H30O3Si/c1-7-12-14(18-15(16)17-8-2)13(6)19(9-3,10-4)11-5/h14H,6-12H2,1-5H3
InChIKeyIFZBDLVLLCCQAP-UHFFFAOYSA-N
MW286.49 g/mol
LogP4.93
Rot. Bonds9

About ethyl 2-triethylsilylhex-1-en-3-yl carbonate

ethyl 2-triethylsilylhex-1-en-3-yl carbonate (PubChem CID 101489852) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is ethyl 2-triethylsilylhex-1-en-3-yl carbonate.

Molecular Properties

Compound Nameethyl 2-triethylsilylhex-1-en-3-yl carbonate
PubChem CID101489852
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Nameethyl 2-triethylsilylhex-1-en-3-yl carbonate
SMILESC=C(C(CCC)OC(=O)OCC)[Si](CC)(CC)CC
InChIInChI=1S/C15H30O3Si/c1-7-12-14(18-15(16)17-8-2)13(6)19(9-3,10-4)11-5/h14H,6-12H2,1-5H3
InChIKeyIFZBDLVLLCCQAP-UHFFFAOYSA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-triethylsilylhex-1-en-3-yl carbonate?
The IUPAC name of ethyl 2-triethylsilylhex-1-en-3-yl carbonate (CID 101489852) is ethyl 2-triethylsilylhex-1-en-3-yl carbonate.
What is the SMILES notation for ethyl 2-triethylsilylhex-1-en-3-yl carbonate?
The canonical SMILES for ethyl 2-triethylsilylhex-1-en-3-yl carbonate is C=C(C(CCC)OC(=O)OCC)[Si](CC)(CC)CC.
What is the InChIKey of ethyl 2-triethylsilylhex-1-en-3-yl carbonate?
The InChIKey is IFZBDLVLLCCQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-7-12-14(18-15(16)17-8-2)13(6)19(9-3,10-4)11-5/h14H,6-12H2,1-5H3.
What are the key properties of ethyl 2-triethylsilylhex-1-en-3-yl carbonate?
ethyl 2-triethylsilylhex-1-en-3-yl carbonate has a molecular weight of 286.49 g/mol, XLogP of 4.93, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-triethylsilylhex-1-en-3-yl carbonate is sourced from PubChem (CID 101489852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).