1-(cyclohexyldisulfanyl)-1,2-dimethylcyclohexane

C14H26S2 — CID 162354954

IUPAC1-(cyclohexyldisulfanyl)-1,2-dimethylcyclohexane
SMILESCC1CCCCC1(C)SSC1CCCCC1
InChIInChI=1S/C14H26S2/c1-12-8-6-7-11-14(12,2)16-15-13-9-4-3-5-10-13/h12-13H,3-11H2,1-2H3
InChIKeyZRPGRHWWWPEDKB-UHFFFAOYSA-N
MW258.50 g/mol
LogP5.67
Rot. Bonds3

About 1-(cyclohexyldisulfanyl)-1,2-dimethylcyclohexane

1-(cyclohexyldisulfanyl)-1,2-dimethylcyclohexane (PubChem CID 162354954) has the molecular formula C14H26S2 and a molecular weight of 258.50 g/mol. Its IUPAC name is 1-(cyclohexyldisulfanyl)-1,2-dimethylcyclohexane.

Molecular Properties

Compound Name1-(cyclohexyldisulfanyl)-1,2-dimethylcyclohexane
PubChem CID162354954
Molecular FormulaC14H26S2
Molecular Weight258.50 g/mol
Exact Mass258.15
IUPAC Name1-(cyclohexyldisulfanyl)-1,2-dimethylcyclohexane
SMILESCC1CCCCC1(C)SSC1CCCCC1
InChIInChI=1S/C14H26S2/c1-12-8-6-7-11-14(12,2)16-15-13-9-4-3-5-10-13/h12-13H,3-11H2,1-2H3
InChIKeyZRPGRHWWWPEDKB-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.50
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexyldisulfanyl)-1,2-dimethylcyclohexane?
The IUPAC name of 1-(cyclohexyldisulfanyl)-1,2-dimethylcyclohexane (CID 162354954) is 1-(cyclohexyldisulfanyl)-1,2-dimethylcyclohexane.
What is the SMILES notation for 1-(cyclohexyldisulfanyl)-1,2-dimethylcyclohexane?
The canonical SMILES for 1-(cyclohexyldisulfanyl)-1,2-dimethylcyclohexane is CC1CCCCC1(C)SSC1CCCCC1.
What is the InChIKey of 1-(cyclohexyldisulfanyl)-1,2-dimethylcyclohexane?
The InChIKey is ZRPGRHWWWPEDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26S2/c1-12-8-6-7-11-14(12,2)16-15-13-9-4-3-5-10-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-(cyclohexyldisulfanyl)-1,2-dimethylcyclohexane?
1-(cyclohexyldisulfanyl)-1,2-dimethylcyclohexane has a molecular weight of 258.50 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexyldisulfanyl)-1,2-dimethylcyclohexane is sourced from PubChem (CID 162354954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).