2-cyclopent-3-en-1-ylethyl methanesulfonate

C8H14O3S — CID 87110896

IUPAC2-cyclopent-3-en-1-ylethyl methanesulfonate
SMILESCS(=O)(=O)OCCC1CC=CC1
InChIInChI=1S/C8H14O3S/c1-12(9,10)11-7-6-8-4-2-3-5-8/h2-3,8H,4-7H2,1H3
InChIKeyRNJYSMHSTOMIGK-UHFFFAOYSA-N
MW190.26 g/mol
LogP1.32
Rot. Bonds4

About 2-cyclopent-3-en-1-ylethyl methanesulfonate

2-cyclopent-3-en-1-ylethyl methanesulfonate (PubChem CID 87110896) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is 2-cyclopent-3-en-1-ylethyl methanesulfonate.

Molecular Properties

Compound Name2-cyclopent-3-en-1-ylethyl methanesulfonate
PubChem CID87110896
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name2-cyclopent-3-en-1-ylethyl methanesulfonate
SMILESCS(=O)(=O)OCCC1CC=CC1
InChIInChI=1S/C8H14O3S/c1-12(9,10)11-7-6-8-4-2-3-5-8/h2-3,8H,4-7H2,1H3
InChIKeyRNJYSMHSTOMIGK-UHFFFAOYSA-N
XLogP1.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-3-en-1-ylethyl methanesulfonate?
The IUPAC name of 2-cyclopent-3-en-1-ylethyl methanesulfonate (CID 87110896) is 2-cyclopent-3-en-1-ylethyl methanesulfonate.
What is the SMILES notation for 2-cyclopent-3-en-1-ylethyl methanesulfonate?
The canonical SMILES for 2-cyclopent-3-en-1-ylethyl methanesulfonate is CS(=O)(=O)OCCC1CC=CC1.
What is the InChIKey of 2-cyclopent-3-en-1-ylethyl methanesulfonate?
The InChIKey is RNJYSMHSTOMIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c1-12(9,10)11-7-6-8-4-2-3-5-8/h2-3,8H,4-7H2,1H3.
What are the key properties of 2-cyclopent-3-en-1-ylethyl methanesulfonate?
2-cyclopent-3-en-1-ylethyl methanesulfonate has a molecular weight of 190.26 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-3-en-1-ylethyl methanesulfonate is sourced from PubChem (CID 87110896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).