[1,1,1,3,3-pentafluoro-3-(1-trimethylsilyloxycyclohexyl)propan-2-yl] 2-methylprop-2-enoate

C16H25F5O3Si — CID 58995515

IUPAC[1,1,1,3,3-pentafluoro-3-(1-trimethylsilyloxycyclohexyl)propan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C(F)(F)F)C(F)(F)C1(O[Si](C)(C)C)CCCCC1
InChIInChI=1S/C16H25F5O3Si/c1-11(2)12(22)23-13(16(19,20)21)15(17,18)14(24-25(3,4)5)9-7-6-8-10-14/h13H,1,6-10H2,2-5H3
InChIKeyRVPRIICNDGNHBM-UHFFFAOYSA-N
MW388.45 g/mol
LogP5.23
Rot. Bonds6

About [1,1,1,3,3-pentafluoro-3-(1-trimethylsilyloxycyclohexyl)propan-2-yl] 2-methylprop-2-enoate

[1,1,1,3,3-pentafluoro-3-(1-trimethylsilyloxycyclohexyl)propan-2-yl] 2-methylprop-2-enoate (PubChem CID 58995515) has the molecular formula C16H25F5O3Si and a molecular weight of 388.45 g/mol. Its IUPAC name is [1,1,1,3,3-pentafluoro-3-(1-trimethylsilyloxycyclohexyl)propan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1,1,1,3,3-pentafluoro-3-(1-trimethylsilyloxycyclohexyl)propan-2-yl] 2-methylprop-2-enoate
PubChem CID58995515
Molecular FormulaC16H25F5O3Si
Molecular Weight388.45 g/mol
Exact Mass388.15
IUPAC Name[1,1,1,3,3-pentafluoro-3-(1-trimethylsilyloxycyclohexyl)propan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C(F)(F)F)C(F)(F)C1(O[Si](C)(C)C)CCCCC1
InChIInChI=1S/C16H25F5O3Si/c1-11(2)12(22)23-13(16(19,20)21)15(17,18)14(24-25(3,4)5)9-7-6-8-10-14/h13H,1,6-10H2,2-5H3
InChIKeyRVPRIICNDGNHBM-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-pentafluoro-3-(1-trimethylsilyloxycyclohexyl)propan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [1,1,1,3,3-pentafluoro-3-(1-trimethylsilyloxycyclohexyl)propan-2-yl] 2-methylprop-2-enoate (CID 58995515) is [1,1,1,3,3-pentafluoro-3-(1-trimethylsilyloxycyclohexyl)propan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [1,1,1,3,3-pentafluoro-3-(1-trimethylsilyloxycyclohexyl)propan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [1,1,1,3,3-pentafluoro-3-(1-trimethylsilyloxycyclohexyl)propan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C(F)(F)F)C(F)(F)C1(O[Si](C)(C)C)CCCCC1.
What is the InChIKey of [1,1,1,3,3-pentafluoro-3-(1-trimethylsilyloxycyclohexyl)propan-2-yl] 2-methylprop-2-enoate?
The InChIKey is RVPRIICNDGNHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F5O3Si/c1-11(2)12(22)23-13(16(19,20)21)15(17,18)14(24-25(3,4)5)9-7-6-8-10-14/h13H,1,6-10H2,2-5H3.
What are the key properties of [1,1,1,3,3-pentafluoro-3-(1-trimethylsilyloxycyclohexyl)propan-2-yl] 2-methylprop-2-enoate?
[1,1,1,3,3-pentafluoro-3-(1-trimethylsilyloxycyclohexyl)propan-2-yl] 2-methylprop-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-pentafluoro-3-(1-trimethylsilyloxycyclohexyl)propan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 58995515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).