ethyl 2-fluoro-6-trimethylsilylhex-5-ynoate

C11H19FO2Si — CID 13393081

IUPACethyl 2-fluoro-6-trimethylsilylhex-5-ynoate
SMILESCCOC(=O)C(F)CCC#C[Si](C)(C)C
InChIInChI=1S/C11H19FO2Si/c1-5-14-11(13)10(12)8-6-7-9-15(2,3)4/h10H,5-6,8H2,1-4H3
InChIKeyRUOJDZZXENTRAT-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.55
Rot. Bonds4

About ethyl 2-fluoro-6-trimethylsilylhex-5-ynoate

ethyl 2-fluoro-6-trimethylsilylhex-5-ynoate (PubChem CID 13393081) has the molecular formula C11H19FO2Si and a molecular weight of 230.35 g/mol. Its IUPAC name is ethyl 2-fluoro-6-trimethylsilylhex-5-ynoate.

Molecular Properties

Compound Nameethyl 2-fluoro-6-trimethylsilylhex-5-ynoate
PubChem CID13393081
Molecular FormulaC11H19FO2Si
Molecular Weight230.35 g/mol
Exact Mass230.11
IUPAC Nameethyl 2-fluoro-6-trimethylsilylhex-5-ynoate
SMILESCCOC(=O)C(F)CCC#C[Si](C)(C)C
InChIInChI=1S/C11H19FO2Si/c1-5-14-11(13)10(12)8-6-7-9-15(2,3)4/h10H,5-6,8H2,1-4H3
InChIKeyRUOJDZZXENTRAT-UHFFFAOYSA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-6-trimethylsilylhex-5-ynoate?
The IUPAC name of ethyl 2-fluoro-6-trimethylsilylhex-5-ynoate (CID 13393081) is ethyl 2-fluoro-6-trimethylsilylhex-5-ynoate.
What is the SMILES notation for ethyl 2-fluoro-6-trimethylsilylhex-5-ynoate?
The canonical SMILES for ethyl 2-fluoro-6-trimethylsilylhex-5-ynoate is CCOC(=O)C(F)CCC#C[Si](C)(C)C.
What is the InChIKey of ethyl 2-fluoro-6-trimethylsilylhex-5-ynoate?
The InChIKey is RUOJDZZXENTRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO2Si/c1-5-14-11(13)10(12)8-6-7-9-15(2,3)4/h10H,5-6,8H2,1-4H3.
What are the key properties of ethyl 2-fluoro-6-trimethylsilylhex-5-ynoate?
ethyl 2-fluoro-6-trimethylsilylhex-5-ynoate has a molecular weight of 230.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-6-trimethylsilylhex-5-ynoate is sourced from PubChem (CID 13393081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).