1-ethenylcyclohexane-1-sulfinate

C8H13O2S- — CID 174473271

IUPAC1-ethenylcyclohexane-1-sulfinate
SMILESC=CC1(S(=O)[O-])CCCCC1
InChIInChI=1S/C8H14O2S/c1-2-8(11(9)10)6-4-3-5-7-8/h2H,1,3-7H2,(H,9,10)/p-1
InChIKeyCQUMOWQXBRRFNZ-UHFFFAOYSA-M
MW173.26 g/mol
LogP1.75
Rot. Bonds2

About 1-ethenylcyclohexane-1-sulfinate

1-ethenylcyclohexane-1-sulfinate (PubChem CID 174473271) has the molecular formula C8H13O2S- and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-ethenylcyclohexane-1-sulfinate.

Molecular Properties

Compound Name1-ethenylcyclohexane-1-sulfinate
PubChem CID174473271
Molecular FormulaC8H13O2S-
Molecular Weight173.26 g/mol
Exact Mass173.06
IUPAC Name1-ethenylcyclohexane-1-sulfinate
SMILESC=CC1(S(=O)[O-])CCCCC1
InChIInChI=1S/C8H14O2S/c1-2-8(11(9)10)6-4-3-5-7-8/h2H,1,3-7H2,(H,9,10)/p-1
InChIKeyCQUMOWQXBRRFNZ-UHFFFAOYSA-M
XLogP1.75
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-silyloxane-2-sulfinate
CID 123267264
1-ethenyl-1-(1-ethenylcyclohexyl)cyclohexane
CID 56992282
2-(2-sulfinatooxane-2-carbonyl)oxane-2-sulfinate
CID 175224190
disodium;cyclopropane;sulfite
CID 175924940
1-carbamoylcyclobutane-1-sulfinate
CID 175151573
1-phenylcyclohexane-1-sulfinate
CID 66796209
1-(diazenylmethyl)cyclohexane-1-sulfinate
CID 174520479
1-[diazo(ethylsulfonyl)methyl]cyclohexane-1-sulfinate
CID 174418062
1-chlorocyclopropane-1-sulfinate
CID 67153744
ethenesulfinate;methane
CID 174592359
CID 16684913
CID 16684913
2-ethenyl-2-hydroxycycloheptan-1-one
CID 130027172

Frequently Asked Questions

What is the IUPAC name of 1-ethenylcyclohexane-1-sulfinate?
The IUPAC name of 1-ethenylcyclohexane-1-sulfinate (CID 174473271) is 1-ethenylcyclohexane-1-sulfinate.
What is the SMILES notation for 1-ethenylcyclohexane-1-sulfinate?
The canonical SMILES for 1-ethenylcyclohexane-1-sulfinate is C=CC1(S(=O)[O-])CCCCC1.
What is the InChIKey of 1-ethenylcyclohexane-1-sulfinate?
The InChIKey is CQUMOWQXBRRFNZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14O2S/c1-2-8(11(9)10)6-4-3-5-7-8/h2H,1,3-7H2,(H,9,10)/p-1.
What are the key properties of 1-ethenylcyclohexane-1-sulfinate?
1-ethenylcyclohexane-1-sulfinate has a molecular weight of 173.26 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylcyclohexane-1-sulfinate is sourced from PubChem (CID 174473271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).