[1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] prop-2-enoate

C16H25F5O3Si — CID 58995509

IUPAC[1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] prop-2-enoate
SMILESC=CC(=O)OC1(C(F)(F)C(C)(O[Si](C)(C)C)C(F)(F)F)CCCCC1
InChIInChI=1S/C16H25F5O3Si/c1-6-12(22)23-14(10-8-7-9-11-14)15(17,18)13(2,16(19,20)21)24-25(3,4)5/h6H,1,7-11H2,2-5H3
InChIKeyNVUWLGJGZUSLJP-UHFFFAOYSA-N
MW388.45 g/mol
LogP5.23
Rot. Bonds6

About [1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] prop-2-enoate

[1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] prop-2-enoate (PubChem CID 58995509) has the molecular formula C16H25F5O3Si and a molecular weight of 388.45 g/mol. Its IUPAC name is [1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] prop-2-enoate.

Molecular Properties

Compound Name[1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] prop-2-enoate
PubChem CID58995509
Molecular FormulaC16H25F5O3Si
Molecular Weight388.45 g/mol
Exact Mass388.15
IUPAC Name[1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] prop-2-enoate
SMILESC=CC(=O)OC1(C(F)(F)C(C)(O[Si](C)(C)C)C(F)(F)F)CCCCC1
InChIInChI=1S/C16H25F5O3Si/c1-6-12(22)23-14(10-8-7-9-11-14)15(17,18)13(2,16(19,20)21)24-25(3,4)5/h6H,1,7-11H2,2-5H3
InChIKeyNVUWLGJGZUSLJP-UHFFFAOYSA-N
XLogP5.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.45
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] prop-2-enoate?
The IUPAC name of [1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] prop-2-enoate (CID 58995509) is [1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] prop-2-enoate.
What is the SMILES notation for [1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] prop-2-enoate?
The canonical SMILES for [1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] prop-2-enoate is C=CC(=O)OC1(C(F)(F)C(C)(O[Si](C)(C)C)C(F)(F)F)CCCCC1.
What is the InChIKey of [1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] prop-2-enoate?
The InChIKey is NVUWLGJGZUSLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F5O3Si/c1-6-12(22)23-14(10-8-7-9-11-14)15(17,18)13(2,16(19,20)21)24-25(3,4)5/h6H,1,7-11H2,2-5H3.
What are the key properties of [1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] prop-2-enoate?
[1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] prop-2-enoate has a molecular weight of 388.45 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] prop-2-enoate is sourced from PubChem (CID 58995509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).