1-cyclopent-2-en-1-yl-2-[dimethyl(methyl)-λ4-sulfanyl]ethanol

C10H19OS+ — CID 91475778

IUPAC1-cyclopent-2-en-1-yl-2-[dimethyl(methyl)-λ4-sulfanyl]ethanol
SMILES[CH2+]S(C)(C)CC(O)C1C=CCC1
InChIInChI=1S/C10H19OS/c1-12(2,3)8-10(11)9-6-4-5-7-9/h4,6,9-11H,1,5,7-8H2,2-3H3/q+1
InChIKeyOTXRFKWGTGZFCY-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.17
Rot. Bonds3

About 1-cyclopent-2-en-1-yl-2-[dimethyl(methyl)-λ4-sulfanyl]ethanol

1-cyclopent-2-en-1-yl-2-[dimethyl(methyl)-λ4-sulfanyl]ethanol (PubChem CID 91475778) has the molecular formula C10H19OS+ and a molecular weight of 187.33 g/mol. Its IUPAC name is 1-cyclopent-2-en-1-yl-2-[dimethyl(methyl)-λ4-sulfanyl]ethanol.

Molecular Properties

Compound Name1-cyclopent-2-en-1-yl-2-[dimethyl(methyl)-λ4-sulfanyl]ethanol
PubChem CID91475778
Molecular FormulaC10H19OS+
Molecular Weight187.33 g/mol
Exact Mass187.12
IUPAC Name1-cyclopent-2-en-1-yl-2-[dimethyl(methyl)-λ4-sulfanyl]ethanol
SMILES[CH2+]S(C)(C)CC(O)C1C=CCC1
InChIInChI=1S/C10H19OS/c1-12(2,3)8-10(11)9-6-4-5-7-9/h4,6,9-11H,1,5,7-8H2,2-3H3/q+1
InChIKeyOTXRFKWGTGZFCY-UHFFFAOYSA-N
XLogP2.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-2-en-1-yl-2-[dimethyl(methyl)-λ4-sulfanyl]ethanol?
The IUPAC name of 1-cyclopent-2-en-1-yl-2-[dimethyl(methyl)-λ4-sulfanyl]ethanol (CID 91475778) is 1-cyclopent-2-en-1-yl-2-[dimethyl(methyl)-λ4-sulfanyl]ethanol.
What is the SMILES notation for 1-cyclopent-2-en-1-yl-2-[dimethyl(methyl)-λ4-sulfanyl]ethanol?
The canonical SMILES for 1-cyclopent-2-en-1-yl-2-[dimethyl(methyl)-λ4-sulfanyl]ethanol is [CH2+]S(C)(C)CC(O)C1C=CCC1.
What is the InChIKey of 1-cyclopent-2-en-1-yl-2-[dimethyl(methyl)-λ4-sulfanyl]ethanol?
The InChIKey is OTXRFKWGTGZFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19OS/c1-12(2,3)8-10(11)9-6-4-5-7-9/h4,6,9-11H,1,5,7-8H2,2-3H3/q+1.
What are the key properties of 1-cyclopent-2-en-1-yl-2-[dimethyl(methyl)-λ4-sulfanyl]ethanol?
1-cyclopent-2-en-1-yl-2-[dimethyl(methyl)-λ4-sulfanyl]ethanol has a molecular weight of 187.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-2-en-1-yl-2-[dimethyl(methyl)-λ4-sulfanyl]ethanol is sourced from PubChem (CID 91475778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).