3-ethenyl-5-methyl-2,6-bis[(Z)-prop-1-enyl]thiopyran-4-one

C14H16OS — CID 134285804

IUPAC3-ethenyl-5-methyl-2,6-bis[(Z)-prop-1-enyl]thiopyran-4-one
SMILESC=Cc1c(/C=C\C)sc(/C=C\C)c(C)c1=O
InChIInChI=1S/C14H16OS/c1-5-8-12-10(4)14(15)11(7-3)13(16-12)9-6-2/h5-9H,3H2,1-2,4H3/b8-5-,9-6-
InChIKeyLRXIFKYIAWULMU-VVRUXRSYSA-N
MW232.35 g/mol
LogP4.13
Rot. Bonds3

About 3-ethenyl-5-methyl-2,6-bis[(Z)-prop-1-enyl]thiopyran-4-one

3-ethenyl-5-methyl-2,6-bis[(Z)-prop-1-enyl]thiopyran-4-one (PubChem CID 134285804) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is 3-ethenyl-5-methyl-2,6-bis[(Z)-prop-1-enyl]thiopyran-4-one.

Molecular Properties

Compound Name3-ethenyl-5-methyl-2,6-bis[(Z)-prop-1-enyl]thiopyran-4-one
PubChem CID134285804
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name3-ethenyl-5-methyl-2,6-bis[(Z)-prop-1-enyl]thiopyran-4-one
SMILESC=Cc1c(/C=C\C)sc(/C=C\C)c(C)c1=O
InChIInChI=1S/C14H16OS/c1-5-8-12-10(4)14(15)11(7-3)13(16-12)9-6-2/h5-9H,3H2,1-2,4H3/b8-5-,9-6-
InChIKeyLRXIFKYIAWULMU-VVRUXRSYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-methyl-2,6-bis[(Z)-prop-1-enyl]thiopyran-4-one?
The IUPAC name of 3-ethenyl-5-methyl-2,6-bis[(Z)-prop-1-enyl]thiopyran-4-one (CID 134285804) is 3-ethenyl-5-methyl-2,6-bis[(Z)-prop-1-enyl]thiopyran-4-one.
What is the SMILES notation for 3-ethenyl-5-methyl-2,6-bis[(Z)-prop-1-enyl]thiopyran-4-one?
The canonical SMILES for 3-ethenyl-5-methyl-2,6-bis[(Z)-prop-1-enyl]thiopyran-4-one is C=Cc1c(/C=C\C)sc(/C=C\C)c(C)c1=O.
What is the InChIKey of 3-ethenyl-5-methyl-2,6-bis[(Z)-prop-1-enyl]thiopyran-4-one?
The InChIKey is LRXIFKYIAWULMU-VVRUXRSYSA-N. The full InChI is InChI=1S/C14H16OS/c1-5-8-12-10(4)14(15)11(7-3)13(16-12)9-6-2/h5-9H,3H2,1-2,4H3/b8-5-,9-6-.
What are the key properties of 3-ethenyl-5-methyl-2,6-bis[(Z)-prop-1-enyl]thiopyran-4-one?
3-ethenyl-5-methyl-2,6-bis[(Z)-prop-1-enyl]thiopyran-4-one has a molecular weight of 232.35 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-methyl-2,6-bis[(Z)-prop-1-enyl]thiopyran-4-one is sourced from PubChem (CID 134285804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).