4-methylcyclopentene-1-sulfinic acid

C6H10O2S — CID 174776423

IUPAC4-methylcyclopentene-1-sulfinic acid
SMILESCC1CC=C(S(=O)O)C1
InChIInChI=1S/C6H10O2S/c1-5-2-3-6(4-5)9(7)8/h3,5H,2,4H2,1H3,(H,7,8)
InChIKeyOOMSNCKNTCWVBM-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.52
Rot. Bonds1

About 4-methylcyclopentene-1-sulfinic acid

4-methylcyclopentene-1-sulfinic acid (PubChem CID 174776423) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 4-methylcyclopentene-1-sulfinic acid.

Molecular Properties

Compound Name4-methylcyclopentene-1-sulfinic acid
PubChem CID174776423
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name4-methylcyclopentene-1-sulfinic acid
SMILESCC1CC=C(S(=O)O)C1
InChIInChI=1S/C6H10O2S/c1-5-2-3-6(4-5)9(7)8/h3,5H,2,4H2,1H3,(H,7,8)
InChIKeyOOMSNCKNTCWVBM-UHFFFAOYSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylcyclopentene-1-sulfinic acid?
The IUPAC name of 4-methylcyclopentene-1-sulfinic acid (CID 174776423) is 4-methylcyclopentene-1-sulfinic acid.
What is the SMILES notation for 4-methylcyclopentene-1-sulfinic acid?
The canonical SMILES for 4-methylcyclopentene-1-sulfinic acid is CC1CC=C(S(=O)O)C1.
What is the InChIKey of 4-methylcyclopentene-1-sulfinic acid?
The InChIKey is OOMSNCKNTCWVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-5-2-3-6(4-5)9(7)8/h3,5H,2,4H2,1H3,(H,7,8).
What are the key properties of 4-methylcyclopentene-1-sulfinic acid?
4-methylcyclopentene-1-sulfinic acid has a molecular weight of 146.21 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclopentene-1-sulfinic acid is sourced from PubChem (CID 174776423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).