2-methylsulfonyl-1-prop-2-enylcyclopentan-1-ol

C9H16O3S — CID 79734301

IUPAC2-methylsulfonyl-1-prop-2-enylcyclopentan-1-ol
SMILESC=CCC1(O)CCCC1S(C)(=O)=O
InChIInChI=1S/C9H16O3S/c1-3-6-9(10)7-4-5-8(9)13(2,11)12/h3,8,10H,1,4-7H2,2H3
InChIKeyMCVBNSFMWHIPEX-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.89
Rot. Bonds3

About 2-methylsulfonyl-1-prop-2-enylcyclopentan-1-ol

2-methylsulfonyl-1-prop-2-enylcyclopentan-1-ol (PubChem CID 79734301) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-methylsulfonyl-1-prop-2-enylcyclopentan-1-ol.

Molecular Properties

Compound Name2-methylsulfonyl-1-prop-2-enylcyclopentan-1-ol
PubChem CID79734301
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name2-methylsulfonyl-1-prop-2-enylcyclopentan-1-ol
SMILESC=CCC1(O)CCCC1S(C)(=O)=O
InChIInChI=1S/C9H16O3S/c1-3-6-9(10)7-4-5-8(9)13(2,11)12/h3,8,10H,1,4-7H2,2H3
InChIKeyMCVBNSFMWHIPEX-UHFFFAOYSA-N
XLogP0.89
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.89
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 2-methylsulfonyl-1-prop-2-enylcyclopentan-1-ol?
The IUPAC name of 2-methylsulfonyl-1-prop-2-enylcyclopentan-1-ol (CID 79734301) is 2-methylsulfonyl-1-prop-2-enylcyclopentan-1-ol.
What is the SMILES notation for 2-methylsulfonyl-1-prop-2-enylcyclopentan-1-ol?
The canonical SMILES for 2-methylsulfonyl-1-prop-2-enylcyclopentan-1-ol is C=CCC1(O)CCCC1S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-1-prop-2-enylcyclopentan-1-ol?
The InChIKey is MCVBNSFMWHIPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3S/c1-3-6-9(10)7-4-5-8(9)13(2,11)12/h3,8,10H,1,4-7H2,2H3.
What are the key properties of 2-methylsulfonyl-1-prop-2-enylcyclopentan-1-ol?
2-methylsulfonyl-1-prop-2-enylcyclopentan-1-ol has a molecular weight of 204.29 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-prop-2-enylcyclopentan-1-ol is sourced from PubChem (CID 79734301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).