4-methylsulfonyl-1-prop-2-enylcyclohexan-1-ol

C10H18O3S — CID 118435755

IUPAC4-methylsulfonyl-1-prop-2-enylcyclohexan-1-ol
SMILESC=CCC1(O)CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C10H18O3S/c1-3-6-10(11)7-4-9(5-8-10)14(2,12)13/h3,9,11H,1,4-8H2,2H3
InChIKeyWJHVUIZXMGJFSX-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.28
Rot. Bonds3

About 4-methylsulfonyl-1-prop-2-enylcyclohexan-1-ol

4-methylsulfonyl-1-prop-2-enylcyclohexan-1-ol (PubChem CID 118435755) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 4-methylsulfonyl-1-prop-2-enylcyclohexan-1-ol.

Molecular Properties

Compound Name4-methylsulfonyl-1-prop-2-enylcyclohexan-1-ol
PubChem CID118435755
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name4-methylsulfonyl-1-prop-2-enylcyclohexan-1-ol
SMILESC=CCC1(O)CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C10H18O3S/c1-3-6-10(11)7-4-9(5-8-10)14(2,12)13/h3,9,11H,1,4-8H2,2H3
InChIKeyWJHVUIZXMGJFSX-UHFFFAOYSA-N
XLogP1.28
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-prop-2-enylcyclohexan-1-ol?
The IUPAC name of 4-methylsulfonyl-1-prop-2-enylcyclohexan-1-ol (CID 118435755) is 4-methylsulfonyl-1-prop-2-enylcyclohexan-1-ol.
What is the SMILES notation for 4-methylsulfonyl-1-prop-2-enylcyclohexan-1-ol?
The canonical SMILES for 4-methylsulfonyl-1-prop-2-enylcyclohexan-1-ol is C=CCC1(O)CCC(S(C)(=O)=O)CC1.
What is the InChIKey of 4-methylsulfonyl-1-prop-2-enylcyclohexan-1-ol?
The InChIKey is WJHVUIZXMGJFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-3-6-10(11)7-4-9(5-8-10)14(2,12)13/h3,9,11H,1,4-8H2,2H3.
What are the key properties of 4-methylsulfonyl-1-prop-2-enylcyclohexan-1-ol?
4-methylsulfonyl-1-prop-2-enylcyclohexan-1-ol has a molecular weight of 218.32 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-prop-2-enylcyclohexan-1-ol is sourced from PubChem (CID 118435755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).