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

C17H27F5O3Si — CID 58995526

IUPAC[1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C(F)(F)C(C)(O[Si](C)(C)C)C(F)(F)F)CCCCC1
InChIInChI=1S/C17H27F5O3Si/c1-12(2)13(23)24-15(10-8-7-9-11-15)16(18,19)14(3,17(20,21)22)25-26(4,5)6/h1,7-11H2,2-6H3
InChIKeyMNKDZPDKQOCEKV-UHFFFAOYSA-N
MW402.48 g/mol
LogP5.62
Rot. Bonds6

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

[1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] 2-methylprop-2-enoate (PubChem CID 58995526) has the molecular formula C17H27F5O3Si and a molecular weight of 402.48 g/mol. Its IUPAC name is [1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] 2-methylprop-2-enoate
PubChem CID58995526
Molecular FormulaC17H27F5O3Si
Molecular Weight402.48 g/mol
Exact Mass402.16
IUPAC Name[1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C(F)(F)C(C)(O[Si](C)(C)C)C(F)(F)F)CCCCC1
InChIInChI=1S/C17H27F5O3Si/c1-12(2)13(23)24-15(10-8-7-9-11-15)16(18,19)14(3,17(20,21)22)25-26(4,5)6/h1,7-11H2,2-6H3
InChIKeyMNKDZPDKQOCEKV-UHFFFAOYSA-N
XLogP5.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.48
LogP ≤ 55.62
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'}

Analyze [1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] 2-methylprop-2-enoate with MolForge

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Related Compounds

(2-Cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl) 2-methylprop-2-enoate
CID 57824214
[1-(1,1,3,3,3-Pentafluoro-2-hydroxy-2-methylpropyl)cyclohexyl] 2-methylprop-2-enoate
CID 58995460
[1-(1,1,3,3,3-Pentafluoro-2-trimethylsilyloxypropyl)cyclohexyl] prop-2-enoate
CID 58995475
[1-(1,1,3,3,3-Pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] prop-2-enoate
CID 58995509
[1-(1,1,3,3,3-Pentafluoro-2-trimethylsilyloxypropyl)cyclohexyl] 2-methylprop-2-enoate
CID 58995513
[1,1,1,3,3-Pentafluoro-3-(1-trimethylsilyloxycyclohexyl)propan-2-yl] 2-methylprop-2-enoate
CID 58995515
[1-[1,1-Difluoro-2-methyl-2-(trifluoromethyl)heptyl]cyclohexyl] 2-(trifluoromethyl)prop-2-enoate
CID 58995519
[1-[3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclohexyl] 2-methylprop-2-enoate
CID 58999842
CID 87902314
CID 87902314
(2-Cyclohexyl-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-2-yl) 2-(trifluoromethyl)prop-2-enoate
CID 87940760
[3,4,4,5,6,6,7,7,8,8,9,9,10,10-Tetradecafluoro-12-triethylsilyloxy-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate
CID 89272589
[1-[1,3,3,3-Tetrafluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclohexyl] 2-methylprop-2-enoate
CID 89386043

Frequently Asked Questions

What is the IUPAC name of [1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] 2-methylprop-2-enoate (CID 58995526) is [1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=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] 2-methylprop-2-enoate?
The InChIKey is MNKDZPDKQOCEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F5O3Si/c1-12(2)13(23)24-15(10-8-7-9-11-15)16(18,19)14(3,17(20,21)22)25-26(4,5)6/h1,7-11H2,2-6H3.
What are the key properties of [1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] 2-methylprop-2-enoate?
[1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] 2-methylprop-2-enoate has a molecular weight of 402.48 g/mol, XLogP of 5.62, 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] 2-methylprop-2-enoate is sourced from PubChem (CID 58995526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).