5-(4-ethylcyclohexyl)-2-methyl-1-(trifluoromethyl)cyclohexan-1-ol;yttrium(3+)

C16H26F3OY+2 — CID 20578465

IUPAC5-(4-ethylcyclohexyl)-2-methyl-1-(trifluoromethyl)cyclohexan-1-ol;yttrium(3+)
SMILES[CH2-]CC1CCC(C2CCC(C)C(O)(C(F)(F)F)C2)CC1.[Y+3]
InChIInChI=1S/C16H26F3O.Y/c1-3-12-5-8-13(9-6-12)14-7-4-11(2)15(20,10-14)16(17,18)19;/h11-14,20H,1,3-10H2,2H3;/q-1;+3
InChIKeyIKFVFBXSUSRRIU-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.74
Rot. Bonds2

About 5-(4-ethylcyclohexyl)-2-methyl-1-(trifluoromethyl)cyclohexan-1-ol;yttrium(3+)

5-(4-ethylcyclohexyl)-2-methyl-1-(trifluoromethyl)cyclohexan-1-ol;yttrium(3+) (PubChem CID 20578465) has the molecular formula C16H26F3OY+2 and a molecular weight of 380.28 g/mol. Its IUPAC name is 5-(4-ethylcyclohexyl)-2-methyl-1-(trifluoromethyl)cyclohexan-1-ol;yttrium(3+).

Molecular Properties

Compound Name5-(4-ethylcyclohexyl)-2-methyl-1-(trifluoromethyl)cyclohexan-1-ol;yttrium(3+)
PubChem CID20578465
Molecular FormulaC16H26F3OY+2
Molecular Weight380.28 g/mol
Exact Mass380.10
IUPAC Name5-(4-ethylcyclohexyl)-2-methyl-1-(trifluoromethyl)cyclohexan-1-ol;yttrium(3+)
SMILES[CH2-]CC1CCC(C2CCC(C)C(O)(C(F)(F)F)C2)CC1.[Y+3]
InChIInChI=1S/C16H26F3O.Y/c1-3-12-5-8-13(9-6-12)14-7-4-11(2)15(20,10-14)16(17,18)19;/h11-14,20H,1,3-10H2,2H3;/q-1;+3
InChIKeyIKFVFBXSUSRRIU-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-difluoro-2-methyl-5-(4-propylcyclohexyl)cyclohexane
CID 69029660
5-ethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;2-methylprop-2-en-1-one;uranium(2+)
CID 163638074
1,4-bis[4-(2-fluoroethyl)cyclohexyl]cyclohexane
CID 18343974
[(1R,4R)-3,3-difluoro-4-methylcyclohexyl]methanol
CID 118558757
2,5-dimethyl-3-(trifluoromethyl)oxolan-3-ol
CID 130977742
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol
CID 71204200
1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol
CID 18364504
1-[4-(7-fluorohept-4-enyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane
CID 54243786
1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexan-1-ol;[1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexyl]oxy-trimethylsilane
CID 90721009
(1R,2S,4S)-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
CID 101087831

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylcyclohexyl)-2-methyl-1-(trifluoromethyl)cyclohexan-1-ol;yttrium(3+)?
The IUPAC name of 5-(4-ethylcyclohexyl)-2-methyl-1-(trifluoromethyl)cyclohexan-1-ol;yttrium(3+) (CID 20578465) is 5-(4-ethylcyclohexyl)-2-methyl-1-(trifluoromethyl)cyclohexan-1-ol;yttrium(3+).
What is the SMILES notation for 5-(4-ethylcyclohexyl)-2-methyl-1-(trifluoromethyl)cyclohexan-1-ol;yttrium(3+)?
The canonical SMILES for 5-(4-ethylcyclohexyl)-2-methyl-1-(trifluoromethyl)cyclohexan-1-ol;yttrium(3+) is [CH2-]CC1CCC(C2CCC(C)C(O)(C(F)(F)F)C2)CC1.[Y+3].
What is the InChIKey of 5-(4-ethylcyclohexyl)-2-methyl-1-(trifluoromethyl)cyclohexan-1-ol;yttrium(3+)?
The InChIKey is IKFVFBXSUSRRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3O.Y/c1-3-12-5-8-13(9-6-12)14-7-4-11(2)15(20,10-14)16(17,18)19;/h11-14,20H,1,3-10H2,2H3;/q-1;+3.
What are the key properties of 5-(4-ethylcyclohexyl)-2-methyl-1-(trifluoromethyl)cyclohexan-1-ol;yttrium(3+)?
5-(4-ethylcyclohexyl)-2-methyl-1-(trifluoromethyl)cyclohexan-1-ol;yttrium(3+) has a molecular weight of 380.28 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylcyclohexyl)-2-methyl-1-(trifluoromethyl)cyclohexan-1-ol;yttrium(3+) is sourced from PubChem (CID 20578465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).