propan-2-ylsulfinylcyclohexane

C9H18OS — CID 11137630

IUPACpropan-2-ylsulfinylcyclohexane
SMILESCC(C)S(=O)C1CCCCC1
InChIInChI=1S/C9H18OS/c1-8(2)11(10)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyRFUJWHBVWJHXIJ-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.48
Rot. Bonds2

About propan-2-ylsulfinylcyclohexane

propan-2-ylsulfinylcyclohexane (PubChem CID 11137630) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is propan-2-ylsulfinylcyclohexane.

Molecular Properties

Compound Namepropan-2-ylsulfinylcyclohexane
PubChem CID11137630
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Namepropan-2-ylsulfinylcyclohexane
SMILESCC(C)S(=O)C1CCCCC1
InChIInChI=1S/C9H18OS/c1-8(2)11(10)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyRFUJWHBVWJHXIJ-UHFFFAOYSA-N
XLogP2.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dibutyl sulfoxide
CID 16568
Hexyl sulfoxide
CID 16593
Pentyl sulfoxide
CID 74806
Heptyl sulfoxide
CID 91426
2-((1-Methylpropyl)sulfinyl)butane
CID 114469
1,1'-Sulfinylbis(cyclohexane)
CID 202776
1-Methanesulfinyl-hexane
CID 12244487
Cyclohexane, (pentylthio)-
CID 557453
Sulfide, cyclohexyl propyl
CID 557549
Sulfide, cyclohexyl isopropyl
CID 557550
(Ethylsulfanyl)cyclohexane
CID 557553
Sulfide, butyl cyclohexyl
CID 557554

Frequently Asked Questions

What is the IUPAC name of propan-2-ylsulfinylcyclohexane?
The IUPAC name of propan-2-ylsulfinylcyclohexane (CID 11137630) is propan-2-ylsulfinylcyclohexane.
What is the SMILES notation for propan-2-ylsulfinylcyclohexane?
The canonical SMILES for propan-2-ylsulfinylcyclohexane is CC(C)S(=O)C1CCCCC1.
What is the InChIKey of propan-2-ylsulfinylcyclohexane?
The InChIKey is RFUJWHBVWJHXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS/c1-8(2)11(10)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of propan-2-ylsulfinylcyclohexane?
propan-2-ylsulfinylcyclohexane has a molecular weight of 174.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylsulfinylcyclohexane is sourced from PubChem (CID 11137630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).