6-[(E)-pent-3-enyl]oxane-2-thione

C10H16OS — CID 91750123

IUPAC6-[(E)-pent-3-enyl]oxane-2-thione
SMILESC/C=C/CCC1CCCC(=S)O1
InChIInChI=1S/C10H16OS/c1-2-3-4-6-9-7-5-8-10(12)11-9/h2-3,9H,4-8H2,1H3/b3-2+
InChIKeyLQWZFGDHWUEUTH-NSCUHMNNSA-N
MW184.30 g/mol
LogP3.24
Rot. Bonds3

About 6-[(E)-pent-3-enyl]oxane-2-thione

6-[(E)-pent-3-enyl]oxane-2-thione (PubChem CID 91750123) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 6-[(E)-pent-3-enyl]oxane-2-thione.

Molecular Properties

Compound Name6-[(E)-pent-3-enyl]oxane-2-thione
PubChem CID91750123
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name6-[(E)-pent-3-enyl]oxane-2-thione
SMILESC/C=C/CCC1CCCC(=S)O1
InChIInChI=1S/C10H16OS/c1-2-3-4-6-9-7-5-8-10(12)11-9/h2-3,9H,4-8H2,1H3/b3-2+
InChIKeyLQWZFGDHWUEUTH-NSCUHMNNSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-pent-3-enyl]oxane-2-thione?
The IUPAC name of 6-[(E)-pent-3-enyl]oxane-2-thione (CID 91750123) is 6-[(E)-pent-3-enyl]oxane-2-thione.
What is the SMILES notation for 6-[(E)-pent-3-enyl]oxane-2-thione?
The canonical SMILES for 6-[(E)-pent-3-enyl]oxane-2-thione is C/C=C/CCC1CCCC(=S)O1.
What is the InChIKey of 6-[(E)-pent-3-enyl]oxane-2-thione?
The InChIKey is LQWZFGDHWUEUTH-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H16OS/c1-2-3-4-6-9-7-5-8-10(12)11-9/h2-3,9H,4-8H2,1H3/b3-2+.
What are the key properties of 6-[(E)-pent-3-enyl]oxane-2-thione?
6-[(E)-pent-3-enyl]oxane-2-thione has a molecular weight of 184.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-pent-3-enyl]oxane-2-thione is sourced from PubChem (CID 91750123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).