4-(2-methoxyethylidene)thiane

C8H14OS — CID 59255544

IUPAC4-(2-methoxyethylidene)thiane
SMILESCOCC=C1CCSCC1
InChIInChI=1S/C8H14OS/c1-9-5-2-8-3-6-10-7-4-8/h2H,3-7H2,1H3
InChIKeyBVLMFPHEHVSGMO-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.09
Rot. Bonds2

About 4-(2-methoxyethylidene)thiane

4-(2-methoxyethylidene)thiane (PubChem CID 59255544) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 4-(2-methoxyethylidene)thiane.

Molecular Properties

Compound Name4-(2-methoxyethylidene)thiane
PubChem CID59255544
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name4-(2-methoxyethylidene)thiane
SMILESCOCC=C1CCSCC1
InChIInChI=1S/C8H14OS/c1-9-5-2-8-3-6-10-7-4-8/h2H,3-7H2,1H3
InChIKeyBVLMFPHEHVSGMO-UHFFFAOYSA-N
XLogP2.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
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-(2-methoxyethylidene)thiane?
The IUPAC name of 4-(2-methoxyethylidene)thiane (CID 59255544) is 4-(2-methoxyethylidene)thiane.
What is the SMILES notation for 4-(2-methoxyethylidene)thiane?
The canonical SMILES for 4-(2-methoxyethylidene)thiane is COCC=C1CCSCC1.
What is the InChIKey of 4-(2-methoxyethylidene)thiane?
The InChIKey is BVLMFPHEHVSGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-9-5-2-8-3-6-10-7-4-8/h2H,3-7H2,1H3.
What are the key properties of 4-(2-methoxyethylidene)thiane?
4-(2-methoxyethylidene)thiane has a molecular weight of 158.27 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylidene)thiane is sourced from PubChem (CID 59255544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).