argon;(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)methanesulfinate

C10H17ArO3S- — CID 158091016

IUPACargon;(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)methanesulfinate
SMILESCC1=C(CS(=O)[O-])C(C)(C)CCC1O.[Ar]
InChIInChI=1S/C10H18O3S.Ar/c1-7-8(6-14(12)13)10(2,3)5-4-9(7)11;/h9,11H,4-6H2,1-3H3,(H,12,13);/p-1
InChIKeyUJADCMKOXRGXNE-UHFFFAOYSA-M
MW257.26 g/mol
LogP1.36
Rot. Bonds2

About argon;(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)methanesulfinate

argon;(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)methanesulfinate (PubChem CID 158091016) has the molecular formula C10H17ArO3S- and a molecular weight of 257.26 g/mol. Its IUPAC name is argon;(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)methanesulfinate.

Molecular Properties

Compound Nameargon;(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)methanesulfinate
PubChem CID158091016
Molecular FormulaC10H17ArO3S-
Molecular Weight257.26 g/mol
Exact Mass257.05
IUPAC Nameargon;(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)methanesulfinate
SMILESCC1=C(CS(=O)[O-])C(C)(C)CCC1O.[Ar]
InChIInChI=1S/C10H18O3S.Ar/c1-7-8(6-14(12)13)10(2,3)5-4-9(7)11;/h9,11H,4-6H2,1-3H3,(H,12,13);/p-1
InChIKeyUJADCMKOXRGXNE-UHFFFAOYSA-M
XLogP1.36
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze argon;(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)methanesulfinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of argon;(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)methanesulfinate?
The IUPAC name of argon;(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)methanesulfinate (CID 158091016) is argon;(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)methanesulfinate.
What is the SMILES notation for argon;(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)methanesulfinate?
The canonical SMILES for argon;(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)methanesulfinate is CC1=C(CS(=O)[O-])C(C)(C)CCC1O.[Ar].
What is the InChIKey of argon;(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)methanesulfinate?
The InChIKey is UJADCMKOXRGXNE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18O3S.Ar/c1-7-8(6-14(12)13)10(2,3)5-4-9(7)11;/h9,11H,4-6H2,1-3H3,(H,12,13);/p-1.
What are the key properties of argon;(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)methanesulfinate?
argon;(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)methanesulfinate has a molecular weight of 257.26 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for argon;(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)methanesulfinate is sourced from PubChem (CID 158091016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).