1-O-cyclohexyl 5-O-[4-(2-methylprop-2-enoyloxy)butyl] 2,2,3,3,4,4-hexafluoropentanedioate

C19H24F6O6 — CID 88577906

IUPAC1-O-cyclohexyl 5-O-[4-(2-methylprop-2-enoyloxy)butyl] 2,2,3,3,4,4-hexafluoropentanedioate
SMILESC=C(C)C(=O)OCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OC1CCCCC1
InChIInChI=1S/C19H24F6O6/c1-12(2)14(26)29-10-6-7-11-30-15(27)17(20,21)19(24,25)18(22,23)16(28)31-13-8-4-3-5-9-13/h13H,1,3-11H2,2H3
InChIKeyMJFYZSOINOUCTQ-UHFFFAOYSA-N
MW462.38 g/mol
LogP4.21
Rot. Bonds11

About 1-O-cyclohexyl 5-O-[4-(2-methylprop-2-enoyloxy)butyl] 2,2,3,3,4,4-hexafluoropentanedioate

1-O-cyclohexyl 5-O-[4-(2-methylprop-2-enoyloxy)butyl] 2,2,3,3,4,4-hexafluoropentanedioate (PubChem CID 88577906) has the molecular formula C19H24F6O6 and a molecular weight of 462.38 g/mol. Its IUPAC name is 1-O-cyclohexyl 5-O-[4-(2-methylprop-2-enoyloxy)butyl] 2,2,3,3,4,4-hexafluoropentanedioate.

Molecular Properties

Compound Name1-O-cyclohexyl 5-O-[4-(2-methylprop-2-enoyloxy)butyl] 2,2,3,3,4,4-hexafluoropentanedioate
PubChem CID88577906
Molecular FormulaC19H24F6O6
Molecular Weight462.38 g/mol
Exact Mass462.15
IUPAC Name1-O-cyclohexyl 5-O-[4-(2-methylprop-2-enoyloxy)butyl] 2,2,3,3,4,4-hexafluoropentanedioate
SMILESC=C(C)C(=O)OCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OC1CCCCC1
InChIInChI=1S/C19H24F6O6/c1-12(2)14(26)29-10-6-7-11-30-15(27)17(20,21)19(24,25)18(22,23)16(28)31-13-8-4-3-5-9-13/h13H,1,3-11H2,2H3
InChIKeyMJFYZSOINOUCTQ-UHFFFAOYSA-N
XLogP4.21
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-O-cyclohexyl 5-O-[4-(2-methylprop-2-enoyloxy)butyl] 2,2,3,3,4,4-hexafluoropentanedioate with MolForge

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Related Compounds

5-cycloheptylpentyl 2-methylprop-2-enoate
CID 164546531
3-cyclohexyloxypropyl 2-methylprop-2-enoate
CID 139688731
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
2-cyclohexyloxyethyl 2-methylprop-2-enoate
CID 14692693
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
6-(2-methylprop-2-enoyloxy)hexyl 2-bromo-2-methylpropanoate
CID 59782884
(5-cyclohexyl-4-oxopentyl) 2-methylprop-2-enoate
CID 58107900
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
14-[(2-methylpropan-2-yl)oxy]tetradecyl 2-methylprop-2-enoate
CID 166506035

Frequently Asked Questions

What is the IUPAC name of 1-O-cyclohexyl 5-O-[4-(2-methylprop-2-enoyloxy)butyl] 2,2,3,3,4,4-hexafluoropentanedioate?
The IUPAC name of 1-O-cyclohexyl 5-O-[4-(2-methylprop-2-enoyloxy)butyl] 2,2,3,3,4,4-hexafluoropentanedioate (CID 88577906) is 1-O-cyclohexyl 5-O-[4-(2-methylprop-2-enoyloxy)butyl] 2,2,3,3,4,4-hexafluoropentanedioate.
What is the SMILES notation for 1-O-cyclohexyl 5-O-[4-(2-methylprop-2-enoyloxy)butyl] 2,2,3,3,4,4-hexafluoropentanedioate?
The canonical SMILES for 1-O-cyclohexyl 5-O-[4-(2-methylprop-2-enoyloxy)butyl] 2,2,3,3,4,4-hexafluoropentanedioate is C=C(C)C(=O)OCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OC1CCCCC1.
What is the InChIKey of 1-O-cyclohexyl 5-O-[4-(2-methylprop-2-enoyloxy)butyl] 2,2,3,3,4,4-hexafluoropentanedioate?
The InChIKey is MJFYZSOINOUCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F6O6/c1-12(2)14(26)29-10-6-7-11-30-15(27)17(20,21)19(24,25)18(22,23)16(28)31-13-8-4-3-5-9-13/h13H,1,3-11H2,2H3.
What are the key properties of 1-O-cyclohexyl 5-O-[4-(2-methylprop-2-enoyloxy)butyl] 2,2,3,3,4,4-hexafluoropentanedioate?
1-O-cyclohexyl 5-O-[4-(2-methylprop-2-enoyloxy)butyl] 2,2,3,3,4,4-hexafluoropentanedioate has a molecular weight of 462.38 g/mol, XLogP of 4.21, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-cyclohexyl 5-O-[4-(2-methylprop-2-enoyloxy)butyl] 2,2,3,3,4,4-hexafluoropentanedioate is sourced from PubChem (CID 88577906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).