2-cyclohexylsulfinylethylsulfinylcyclohexane

C14H26O2S2 — CID 135085101

IUPAC2-cyclohexylsulfinylethylsulfinylcyclohexane
SMILESO=S(CCS(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H26O2S2/c15-17(13-7-3-1-4-8-13)11-12-18(16)14-9-5-2-6-10-14/h13-14H,1-12H2
InChIKeyPAVIUFOJRMTBOB-UHFFFAOYSA-N
MW290.49 g/mol
LogP3.15
Rot. Bonds5

About 2-cyclohexylsulfinylethylsulfinylcyclohexane

2-cyclohexylsulfinylethylsulfinylcyclohexane (PubChem CID 135085101) has the molecular formula C14H26O2S2 and a molecular weight of 290.49 g/mol. Its IUPAC name is 2-cyclohexylsulfinylethylsulfinylcyclohexane.

Molecular Properties

Compound Name2-cyclohexylsulfinylethylsulfinylcyclohexane
PubChem CID135085101
Molecular FormulaC14H26O2S2
Molecular Weight290.49 g/mol
Exact Mass290.14
IUPAC Name2-cyclohexylsulfinylethylsulfinylcyclohexane
SMILESO=S(CCS(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H26O2S2/c15-17(13-7-3-1-4-8-13)11-12-18(16)14-9-5-2-6-10-14/h13-14H,1-12H2
InChIKeyPAVIUFOJRMTBOB-UHFFFAOYSA-N
XLogP3.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfinylethylsulfinylcyclohexane?
The IUPAC name of 2-cyclohexylsulfinylethylsulfinylcyclohexane (CID 135085101) is 2-cyclohexylsulfinylethylsulfinylcyclohexane.
What is the SMILES notation for 2-cyclohexylsulfinylethylsulfinylcyclohexane?
The canonical SMILES for 2-cyclohexylsulfinylethylsulfinylcyclohexane is O=S(CCS(=O)C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfinylethylsulfinylcyclohexane?
The InChIKey is PAVIUFOJRMTBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2S2/c15-17(13-7-3-1-4-8-13)11-12-18(16)14-9-5-2-6-10-14/h13-14H,1-12H2.
What are the key properties of 2-cyclohexylsulfinylethylsulfinylcyclohexane?
2-cyclohexylsulfinylethylsulfinylcyclohexane has a molecular weight of 290.49 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfinylethylsulfinylcyclohexane is sourced from PubChem (CID 135085101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).