[4-[1-(3-methylbutyl)silinan-4-yl]cyclohexyl] 4-(trifluoromethyl)benzoate

C24H35F3O2Si — CID 123910235

IUPAC[4-[1-(3-methylbutyl)silinan-4-yl]cyclohexyl] 4-(trifluoromethyl)benzoate
SMILESCC(C)CC[SiH]1CCC(C2CCC(OC(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C24H35F3O2Si/c1-17(2)11-14-30-15-12-19(13-16-30)18-5-9-22(10-6-18)29-23(28)20-3-7-21(8-4-20)24(25,26)27/h3-4,7-8,17-19,22,30H,5-6,9-16H2,1-2H3
InChIKeyQSLNNFLLWYDBIN-UHFFFAOYSA-N
MW440.62 g/mol
LogP7.10
Rot. Bonds6

About [4-[1-(3-methylbutyl)silinan-4-yl]cyclohexyl] 4-(trifluoromethyl)benzoate

[4-[1-(3-methylbutyl)silinan-4-yl]cyclohexyl] 4-(trifluoromethyl)benzoate (PubChem CID 123910235) has the molecular formula C24H35F3O2Si and a molecular weight of 440.62 g/mol. Its IUPAC name is [4-[1-(3-methylbutyl)silinan-4-yl]cyclohexyl] 4-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[4-[1-(3-methylbutyl)silinan-4-yl]cyclohexyl] 4-(trifluoromethyl)benzoate
PubChem CID123910235
Molecular FormulaC24H35F3O2Si
Molecular Weight440.62 g/mol
Exact Mass440.24
IUPAC Name[4-[1-(3-methylbutyl)silinan-4-yl]cyclohexyl] 4-(trifluoromethyl)benzoate
SMILESCC(C)CC[SiH]1CCC(C2CCC(OC(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C24H35F3O2Si/c1-17(2)11-14-30-15-12-19(13-16-30)18-5-9-22(10-6-18)29-23(28)20-3-7-21(8-4-20)24(25,26)27/h3-4,7-8,17-19,22,30H,5-6,9-16H2,1-2H3
InChIKeyQSLNNFLLWYDBIN-UHFFFAOYSA-N
XLogP7.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.62
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-[1-(3-methylbutyl)silinan-4-yl]cyclohexyl] 4-(trifluoromethyl)benzoate with MolForge

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Related Compounds

[4-(trifluoromethyl)phenyl] 4-[1-(3-methylbutyl)silinan-4-yl]benzoate
CID 123144453
(4-acetyloxycyclohexyl) 4-(trifluoromethyl)benzoate
CID 58289310
[4-(1-propylsilinan-4-yl)cyclohexyl] 4-cyanobenzoate
CID 123376885
cyclopentyl 4-(trifluoromethyl)benzoate
CID 599230
[3-[4-(trifluoromethyl)benzoyl]oxy-2-bicyclo[2.2.2]octanyl] 4-(trifluoromethyl)benzoate
CID 170939255
[4-[1-(3-chloropropyl)silinan-4-yl]cyclohexyl] 4-(fluoromethoxy)benzoate
CID 173330164
(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 4-(trifluoromethyl)benzoate
CID 45358851
(3-bromocyclobutyl) 4-(trifluoromethyl)benzoate
CID 89161297
[4-[(E)-2-cyano-2-fluoroethenyl]cyclohexyl] 4-(trifluoromethyl)benzoate
CID 19613099
4-O-(4-tert-butylcyclohexyl) 1-O-(4-methylpentyl) benzene-1,4-dicarboxylate
CID 91724643
2-(4-cyclopropyloxycarbonylphenyl)-2-methylpropanoic acid
CID 141209185
cyclopropyl 4-fluorobenzoate
CID 126986458

Frequently Asked Questions

What is the IUPAC name of [4-[1-(3-methylbutyl)silinan-4-yl]cyclohexyl] 4-(trifluoromethyl)benzoate?
The IUPAC name of [4-[1-(3-methylbutyl)silinan-4-yl]cyclohexyl] 4-(trifluoromethyl)benzoate (CID 123910235) is [4-[1-(3-methylbutyl)silinan-4-yl]cyclohexyl] 4-(trifluoromethyl)benzoate.
What is the SMILES notation for [4-[1-(3-methylbutyl)silinan-4-yl]cyclohexyl] 4-(trifluoromethyl)benzoate?
The canonical SMILES for [4-[1-(3-methylbutyl)silinan-4-yl]cyclohexyl] 4-(trifluoromethyl)benzoate is CC(C)CC[SiH]1CCC(C2CCC(OC(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of [4-[1-(3-methylbutyl)silinan-4-yl]cyclohexyl] 4-(trifluoromethyl)benzoate?
The InChIKey is QSLNNFLLWYDBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F3O2Si/c1-17(2)11-14-30-15-12-19(13-16-30)18-5-9-22(10-6-18)29-23(28)20-3-7-21(8-4-20)24(25,26)27/h3-4,7-8,17-19,22,30H,5-6,9-16H2,1-2H3.
What are the key properties of [4-[1-(3-methylbutyl)silinan-4-yl]cyclohexyl] 4-(trifluoromethyl)benzoate?
[4-[1-(3-methylbutyl)silinan-4-yl]cyclohexyl] 4-(trifluoromethyl)benzoate has a molecular weight of 440.62 g/mol, XLogP of 7.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3-methylbutyl)silinan-4-yl]cyclohexyl] 4-(trifluoromethyl)benzoate is sourced from PubChem (CID 123910235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).