2-[(Z)-5-methoxyhex-4-enyl]-6-methyl-4H-thiopyran

C13H20OS — CID 135215677

IUPAC2-[(Z)-5-methoxyhex-4-enyl]-6-methyl-4H-thiopyran
SMILESCO/C(C)=C\CCCC1=CCC=C(C)S1
InChIInChI=1S/C13H20OS/c1-11(14-3)7-4-5-9-13-10-6-8-12(2)15-13/h7-8,10H,4-6,9H2,1-3H3/b11-7-
InChIKeyOIDLSYMCRNYIBQ-XFFZJAGNSA-N
MW224.37 g/mol
LogP4.63
Rot. Bonds5

About 2-[(Z)-5-methoxyhex-4-enyl]-6-methyl-4H-thiopyran

2-[(Z)-5-methoxyhex-4-enyl]-6-methyl-4H-thiopyran (PubChem CID 135215677) has the molecular formula C13H20OS and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-[(Z)-5-methoxyhex-4-enyl]-6-methyl-4H-thiopyran.

Molecular Properties

Compound Name2-[(Z)-5-methoxyhex-4-enyl]-6-methyl-4H-thiopyran
PubChem CID135215677
Molecular FormulaC13H20OS
Molecular Weight224.37 g/mol
Exact Mass224.12
IUPAC Name2-[(Z)-5-methoxyhex-4-enyl]-6-methyl-4H-thiopyran
SMILESCO/C(C)=C\CCCC1=CCC=C(C)S1
InChIInChI=1S/C13H20OS/c1-11(14-3)7-4-5-9-13-10-6-8-12(2)15-13/h7-8,10H,4-6,9H2,1-3H3/b11-7-
InChIKeyOIDLSYMCRNYIBQ-XFFZJAGNSA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-5-methoxyhex-4-enyl]-6-methyl-4H-thiopyran?
The IUPAC name of 2-[(Z)-5-methoxyhex-4-enyl]-6-methyl-4H-thiopyran (CID 135215677) is 2-[(Z)-5-methoxyhex-4-enyl]-6-methyl-4H-thiopyran.
What is the SMILES notation for 2-[(Z)-5-methoxyhex-4-enyl]-6-methyl-4H-thiopyran?
The canonical SMILES for 2-[(Z)-5-methoxyhex-4-enyl]-6-methyl-4H-thiopyran is CO/C(C)=C\CCCC1=CCC=C(C)S1.
What is the InChIKey of 2-[(Z)-5-methoxyhex-4-enyl]-6-methyl-4H-thiopyran?
The InChIKey is OIDLSYMCRNYIBQ-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H20OS/c1-11(14-3)7-4-5-9-13-10-6-8-12(2)15-13/h7-8,10H,4-6,9H2,1-3H3/b11-7-.
What are the key properties of 2-[(Z)-5-methoxyhex-4-enyl]-6-methyl-4H-thiopyran?
2-[(Z)-5-methoxyhex-4-enyl]-6-methyl-4H-thiopyran has a molecular weight of 224.37 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-5-methoxyhex-4-enyl]-6-methyl-4H-thiopyran is sourced from PubChem (CID 135215677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).