octadecylsulfanylcyclohexane

C24H48S — CID 19905552

IUPACoctadecylsulfanylcyclohexane
SMILESCCCCCCCCCCCCCCCCCCSC1CCCCC1
InChIInChI=1S/C24H48S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25-24-21-18-17-19-22-24/h24H,2-23H2,1H3
InChIKeyLVTJFTXABPFKCG-UHFFFAOYSA-N
MW368.72 g/mol
LogP9.31
Rot. Bonds18

About octadecylsulfanylcyclohexane

octadecylsulfanylcyclohexane (PubChem CID 19905552) has the molecular formula C24H48S and a molecular weight of 368.72 g/mol. Its IUPAC name is octadecylsulfanylcyclohexane.

Molecular Properties

Compound Nameoctadecylsulfanylcyclohexane
PubChem CID19905552
Molecular FormulaC24H48S
Molecular Weight368.72 g/mol
Exact Mass368.35
IUPAC Nameoctadecylsulfanylcyclohexane
SMILESCCCCCCCCCCCCCCCCCCSC1CCCCC1
InChIInChI=1S/C24H48S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25-24-21-18-17-19-22-24/h24H,2-23H2,1H3
InChIKeyLVTJFTXABPFKCG-UHFFFAOYSA-N
XLogP9.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.72
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze octadecylsulfanylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

nonylsulfanylcyclohexane
CID 14783593
octylsulfanylcycloheptane
CID 70441156
hexylsulfanylcyclopentane
CID 534970
butylsulfanylcycloheptane
CID 14970942
4,4-bis(3-cyclohexylsulfanylpropyl)decylsulfanylcyclohexane
CID 167565445
1-cyclohexylsulfanyldecan-3-amine
CID 142946145
propylsulfanylcyclopentane
CID 534899
4-heptylsulfanylcyclohexan-1-one
CID 138676567
4-cyclopentylsulfanylbutylcyclohexane
CID 166876446
1-cyclohexylsulfanylnonan-2-amine
CID 65139649
1-cyclohexylsulfanylundecan-2-amine
CID 65139901
4-cyclopentylsulfanyl-N-methylbutan-1-amine
CID 63115700

Frequently Asked Questions

What is the IUPAC name of octadecylsulfanylcyclohexane?
The IUPAC name of octadecylsulfanylcyclohexane (CID 19905552) is octadecylsulfanylcyclohexane.
What is the SMILES notation for octadecylsulfanylcyclohexane?
The canonical SMILES for octadecylsulfanylcyclohexane is CCCCCCCCCCCCCCCCCCSC1CCCCC1.
What is the InChIKey of octadecylsulfanylcyclohexane?
The InChIKey is LVTJFTXABPFKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25-24-21-18-17-19-22-24/h24H,2-23H2,1H3.
What are the key properties of octadecylsulfanylcyclohexane?
octadecylsulfanylcyclohexane has a molecular weight of 368.72 g/mol, XLogP of 9.31, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadecylsulfanylcyclohexane is sourced from PubChem (CID 19905552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).