1-(hexyldisulfanyl)ethylcyclohexane

C14H28S2 — CID 118070755

IUPAC1-(hexyldisulfanyl)ethylcyclohexane
SMILESCCCCCCSSC(C)C1CCCCC1
InChIInChI=1S/C14H28S2/c1-3-4-5-9-12-15-16-13(2)14-10-7-6-8-11-14/h13-14H,3-12H2,1-2H3
InChIKeyJVDLSUUCDQAWMK-UHFFFAOYSA-N
MW260.51 g/mol
LogP5.92
Rot. Bonds8

About 1-(hexyldisulfanyl)ethylcyclohexane

1-(hexyldisulfanyl)ethylcyclohexane (PubChem CID 118070755) has the molecular formula C14H28S2 and a molecular weight of 260.51 g/mol. Its IUPAC name is 1-(hexyldisulfanyl)ethylcyclohexane.

Molecular Properties

Compound Name1-(hexyldisulfanyl)ethylcyclohexane
PubChem CID118070755
Molecular FormulaC14H28S2
Molecular Weight260.51 g/mol
Exact Mass260.16
IUPAC Name1-(hexyldisulfanyl)ethylcyclohexane
SMILESCCCCCCSSC(C)C1CCCCC1
InChIInChI=1S/C14H28S2/c1-3-4-5-9-12-15-16-13(2)14-10-7-6-8-11-14/h13-14H,3-12H2,1-2H3
InChIKeyJVDLSUUCDQAWMK-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.51
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(propan-2-yldisulfanyl)hexane
CID 536197
butan-2-ylcyclohexane;heptane
CID 143477095
octylsulfanylcycloheptane
CID 70441156
1-cyclohexylheptylcyclohexane
CID 16404
octadecylsulfanylcyclohexane
CID 19905552
nonylsulfanylcyclohexane
CID 14783593
hexadecan-8-ylcyclohexane
CID 91510029
1-cycloheptyldecylcycloheptane
CID 20559033
undecan-5-ylcyclohexane
CID 524419
N-[(1S)-1-cyclohexylethyl]heptan-1-amine
CID 81387571
N-(1-cyclohexylethyl)decan-1-amine
CID 55195239
N-[(1R)-1-cyclohexylethyl]hexan-1-amine
CID 81384209

Frequently Asked Questions

What is the IUPAC name of 1-(hexyldisulfanyl)ethylcyclohexane?
The IUPAC name of 1-(hexyldisulfanyl)ethylcyclohexane (CID 118070755) is 1-(hexyldisulfanyl)ethylcyclohexane.
What is the SMILES notation for 1-(hexyldisulfanyl)ethylcyclohexane?
The canonical SMILES for 1-(hexyldisulfanyl)ethylcyclohexane is CCCCCCSSC(C)C1CCCCC1.
What is the InChIKey of 1-(hexyldisulfanyl)ethylcyclohexane?
The InChIKey is JVDLSUUCDQAWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28S2/c1-3-4-5-9-12-15-16-13(2)14-10-7-6-8-11-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-(hexyldisulfanyl)ethylcyclohexane?
1-(hexyldisulfanyl)ethylcyclohexane has a molecular weight of 260.51 g/mol, XLogP of 5.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexyldisulfanyl)ethylcyclohexane is sourced from PubChem (CID 118070755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).