3-(2-sulfanyloxyethyl)cyclopentene

C7H12OS — CID 162741287

IUPAC3-(2-sulfanyloxyethyl)cyclopentene
SMILESSOCCC1C=CCC1
InChIInChI=1S/C7H12OS/c9-8-6-5-7-3-1-2-4-7/h1,3,7,9H,2,4-6H2
InChIKeyBYXDPHWHLLWKGQ-UHFFFAOYSA-N
MW144.24 g/mol
LogP2.20
Rot. Bonds3

About 3-(2-sulfanyloxyethyl)cyclopentene

3-(2-sulfanyloxyethyl)cyclopentene (PubChem CID 162741287) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 3-(2-sulfanyloxyethyl)cyclopentene.

Molecular Properties

Compound Name3-(2-sulfanyloxyethyl)cyclopentene
PubChem CID162741287
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name3-(2-sulfanyloxyethyl)cyclopentene
SMILESSOCCC1C=CCC1
InChIInChI=1S/C7H12OS/c9-8-6-5-7-3-1-2-4-7/h1,3,7,9H,2,4-6H2
InChIKeyBYXDPHWHLLWKGQ-UHFFFAOYSA-N
XLogP2.20
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-sulfanyloxyethyl)cyclopentene?
The IUPAC name of 3-(2-sulfanyloxyethyl)cyclopentene (CID 162741287) is 3-(2-sulfanyloxyethyl)cyclopentene.
What is the SMILES notation for 3-(2-sulfanyloxyethyl)cyclopentene?
The canonical SMILES for 3-(2-sulfanyloxyethyl)cyclopentene is SOCCC1C=CCC1.
What is the InChIKey of 3-(2-sulfanyloxyethyl)cyclopentene?
The InChIKey is BYXDPHWHLLWKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c9-8-6-5-7-3-1-2-4-7/h1,3,7,9H,2,4-6H2.
What are the key properties of 3-(2-sulfanyloxyethyl)cyclopentene?
3-(2-sulfanyloxyethyl)cyclopentene has a molecular weight of 144.24 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-sulfanyloxyethyl)cyclopentene is sourced from PubChem (CID 162741287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).