dicyclohexyl-[4-(2-methylbutan-2-yl)cyclohexyl]sulfanium

C23H43S+ — CID 140565011

IUPACdicyclohexyl-[4-(2-methylbutan-2-yl)cyclohexyl]sulfanium
SMILESCCC(C)(C)C1CCC([S+](C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C23H43S/c1-4-23(2,3)19-15-17-22(18-16-19)24(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h19-22H,4-18H2,1-3H3/q+1
InChIKeyWWAOZUOZHSUWGP-UHFFFAOYSA-N
MW351.66 g/mol
LogP7.27
Rot. Bonds5

About dicyclohexyl-[4-(2-methylbutan-2-yl)cyclohexyl]sulfanium

dicyclohexyl-[4-(2-methylbutan-2-yl)cyclohexyl]sulfanium (PubChem CID 140565011) has the molecular formula C23H43S+ and a molecular weight of 351.66 g/mol. Its IUPAC name is dicyclohexyl-[4-(2-methylbutan-2-yl)cyclohexyl]sulfanium.

Molecular Properties

Compound Namedicyclohexyl-[4-(2-methylbutan-2-yl)cyclohexyl]sulfanium
PubChem CID140565011
Molecular FormulaC23H43S+
Molecular Weight351.66 g/mol
Exact Mass351.31
IUPAC Namedicyclohexyl-[4-(2-methylbutan-2-yl)cyclohexyl]sulfanium
SMILESCCC(C)(C)C1CCC([S+](C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C23H43S/c1-4-23(2,3)19-15-17-22(18-16-19)24(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h19-22H,4-18H2,1-3H3/q+1
InChIKeyWWAOZUOZHSUWGP-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.66
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-Methyloctylsulfanyl)ethyl]adamantane
CID 168266634
1-Tert-butyl-4-butylsulfanylcyclohexane
CID 89814472
n-Amyl-cyclohexyl sulfide
CID 129819227
2,3-Difluoro-1-heptan-2-ylsulfanyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 153354237
1-Tert-butyl-4-ethylsulfanylcyclohexane
CID 14890761
1-Tert-butyl-4-propylsulfanylcyclohexane
CID 14890763
[2-Cyclohexyl-1,3-bis(methylsulfanyl)propan-2-yl]cyclohexane
CID 17978905
1-Ethylsulfanyl-1-hexyl-4-(4-pentylcyclohexyl)cyclohexane
CID 20075621
4-Pentyl-4'-heptyl-4'-ethylthiobicyclohexane
CID 20075700
1-Butylsulfanyl-1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 20075735
1-Ethylsulfanyl-1-methyl-4-(4-pentylcyclohexyl)cyclohexane
CID 20075805
1-Hexylsulfanyl-1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 20075899

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[4-(2-methylbutan-2-yl)cyclohexyl]sulfanium?
The IUPAC name of dicyclohexyl-[4-(2-methylbutan-2-yl)cyclohexyl]sulfanium (CID 140565011) is dicyclohexyl-[4-(2-methylbutan-2-yl)cyclohexyl]sulfanium.
What is the SMILES notation for dicyclohexyl-[4-(2-methylbutan-2-yl)cyclohexyl]sulfanium?
The canonical SMILES for dicyclohexyl-[4-(2-methylbutan-2-yl)cyclohexyl]sulfanium is CCC(C)(C)C1CCC([S+](C2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of dicyclohexyl-[4-(2-methylbutan-2-yl)cyclohexyl]sulfanium?
The InChIKey is WWAOZUOZHSUWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43S/c1-4-23(2,3)19-15-17-22(18-16-19)24(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h19-22H,4-18H2,1-3H3/q+1.
What are the key properties of dicyclohexyl-[4-(2-methylbutan-2-yl)cyclohexyl]sulfanium?
dicyclohexyl-[4-(2-methylbutan-2-yl)cyclohexyl]sulfanium has a molecular weight of 351.66 g/mol, XLogP of 7.27, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[4-(2-methylbutan-2-yl)cyclohexyl]sulfanium is sourced from PubChem (CID 140565011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).