nonylsulfanylcyclohexane

C15H30S — CID 14783593

IUPACnonylsulfanylcyclohexane
SMILESCCCCCCCCCSC1CCCCC1
InChIInChI=1S/C15H30S/c1-2-3-4-5-6-7-11-14-16-15-12-9-8-10-13-15/h15H,2-14H2,1H3
InChIKeyHGPWSQKPCIYOSL-UHFFFAOYSA-N
MW242.47 g/mol
LogP5.80
Rot. Bonds9

About nonylsulfanylcyclohexane

nonylsulfanylcyclohexane (PubChem CID 14783593) has the molecular formula C15H30S and a molecular weight of 242.47 g/mol. Its IUPAC name is nonylsulfanylcyclohexane.

Molecular Properties

Compound Namenonylsulfanylcyclohexane
PubChem CID14783593
Molecular FormulaC15H30S
Molecular Weight242.47 g/mol
Exact Mass242.21
IUPAC Namenonylsulfanylcyclohexane
SMILESCCCCCCCCCSC1CCCCC1
InChIInChI=1S/C15H30S/c1-2-3-4-5-6-7-11-14-16-15-12-9-8-10-13-15/h15H,2-14H2,1H3
InChIKeyHGPWSQKPCIYOSL-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.47
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

octadecylsulfanylcyclohexane
CID 19905552
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 nonylsulfanylcyclohexane?
The IUPAC name of nonylsulfanylcyclohexane (CID 14783593) is nonylsulfanylcyclohexane.
What is the SMILES notation for nonylsulfanylcyclohexane?
The canonical SMILES for nonylsulfanylcyclohexane is CCCCCCCCCSC1CCCCC1.
What is the InChIKey of nonylsulfanylcyclohexane?
The InChIKey is HGPWSQKPCIYOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30S/c1-2-3-4-5-6-7-11-14-16-15-12-9-8-10-13-15/h15H,2-14H2,1H3.
What are the key properties of nonylsulfanylcyclohexane?
nonylsulfanylcyclohexane has a molecular weight of 242.47 g/mol, XLogP of 5.80, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonylsulfanylcyclohexane is sourced from PubChem (CID 14783593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).