carbanide;2-[(3-ethenyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium

C18H25F6OY- — CID 20759719

IUPACcarbanide;2-[(3-ethenyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium
SMILESC=CC1CC(C)C2C3CC(CC3CC(O)(C(F)(F)F)C(F)(F)F)C12.[CH3-].[Y]
InChIInChI=1S/C17H22F6O.CH3.Y/c1-3-9-4-8(2)13-12-6-10(14(9)13)5-11(12)7-15(24,16(18,19)20)17(21,22)23;;/h3,8-14,24H,1,4-7H2,2H3;1H3;/q;-1;
InChIKeyJRCNXPMGQHTMEY-UHFFFAOYSA-N
MW460.29 g/mol
LogP5.41
Rot. Bonds3

About carbanide;2-[(3-ethenyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium

carbanide;2-[(3-ethenyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium (PubChem CID 20759719) has the molecular formula C18H25F6OY- and a molecular weight of 460.29 g/mol. Its IUPAC name is carbanide;2-[(3-ethenyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium.

Molecular Properties

Compound Namecarbanide;2-[(3-ethenyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium
PubChem CID20759719
Molecular FormulaC18H25F6OY-
Molecular Weight460.29 g/mol
Exact Mass460.09
IUPAC Namecarbanide;2-[(3-ethenyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium
SMILESC=CC1CC(C)C2C3CC(CC3CC(O)(C(F)(F)F)C(F)(F)F)C12.[CH3-].[Y]
InChIInChI=1S/C17H22F6O.CH3.Y/c1-3-9-4-8(2)13-12-6-10(14(9)13)5-11(12)7-15(24,16(18,19)20)17(21,22)23;;/h3,8-14,24H,1,4-7H2,2H3;1H3;/q;-1;
InChIKeyJRCNXPMGQHTMEY-UHFFFAOYSA-N
XLogP5.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.29
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;2-[(3-ethenyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium?
The IUPAC name of carbanide;2-[(3-ethenyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium (CID 20759719) is carbanide;2-[(3-ethenyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium.
What is the SMILES notation for carbanide;2-[(3-ethenyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium?
The canonical SMILES for carbanide;2-[(3-ethenyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium is C=CC1CC(C)C2C3CC(CC3CC(O)(C(F)(F)F)C(F)(F)F)C12.[CH3-].[Y].
What is the InChIKey of carbanide;2-[(3-ethenyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium?
The InChIKey is JRCNXPMGQHTMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F6O.CH3.Y/c1-3-9-4-8(2)13-12-6-10(14(9)13)5-11(12)7-15(24,16(18,19)20)17(21,22)23;;/h3,8-14,24H,1,4-7H2,2H3;1H3;/q;-1;.
What are the key properties of carbanide;2-[(3-ethenyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium?
carbanide;2-[(3-ethenyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium has a molecular weight of 460.29 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-[(3-ethenyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium is sourced from PubChem (CID 20759719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).