4-[(E)-but-2-enyl]thiolan-3-ol

C8H14OS — CID 83190166

IUPAC4-[(E)-but-2-enyl]thiolan-3-ol
SMILESC/C=C/CC1CSCC1O
InChIInChI=1S/C8H14OS/c1-2-3-4-7-5-10-6-8(7)9/h2-3,7-9H,4-6H2,1H3/b3-2+
InChIKeyDBKIJBVNPKFRQU-NSCUHMNNSA-N
MW158.27 g/mol
LogP1.68
Rot. Bonds2

About 4-[(E)-but-2-enyl]thiolan-3-ol

4-[(E)-but-2-enyl]thiolan-3-ol (PubChem CID 83190166) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 4-[(E)-but-2-enyl]thiolan-3-ol.

Molecular Properties

Compound Name4-[(E)-but-2-enyl]thiolan-3-ol
PubChem CID83190166
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name4-[(E)-but-2-enyl]thiolan-3-ol
SMILESC/C=C/CC1CSCC1O
InChIInChI=1S/C8H14OS/c1-2-3-4-7-5-10-6-8(7)9/h2-3,7-9H,4-6H2,1H3/b3-2+
InChIKeyDBKIJBVNPKFRQU-NSCUHMNNSA-N
XLogP1.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-enyl]thiolan-3-ol?
The IUPAC name of 4-[(E)-but-2-enyl]thiolan-3-ol (CID 83190166) is 4-[(E)-but-2-enyl]thiolan-3-ol.
What is the SMILES notation for 4-[(E)-but-2-enyl]thiolan-3-ol?
The canonical SMILES for 4-[(E)-but-2-enyl]thiolan-3-ol is C/C=C/CC1CSCC1O.
What is the InChIKey of 4-[(E)-but-2-enyl]thiolan-3-ol?
The InChIKey is DBKIJBVNPKFRQU-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H14OS/c1-2-3-4-7-5-10-6-8(7)9/h2-3,7-9H,4-6H2,1H3/b3-2+.
What are the key properties of 4-[(E)-but-2-enyl]thiolan-3-ol?
4-[(E)-but-2-enyl]thiolan-3-ol has a molecular weight of 158.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enyl]thiolan-3-ol is sourced from PubChem (CID 83190166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).