4-methoxy-6-[(E)-2-(4-methoxycyclohexyl)ethenyl]pyran-2-one

C15H20O4 — CID 140504022

IUPAC4-methoxy-6-[(E)-2-(4-methoxycyclohexyl)ethenyl]pyran-2-one
SMILESCOc1cc(/C=C/C2CCC(OC)CC2)oc(=O)c1
InChIInChI=1S/C15H20O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h5,8-12H,3-4,6-7H2,1-2H3/b8-5+
InChIKeyXQGKNAUXOPCVSS-VMPITWQZSA-N
MW264.32 g/mol
LogP2.87
Rot. Bonds4

About 4-methoxy-6-[(E)-2-(4-methoxycyclohexyl)ethenyl]pyran-2-one

4-methoxy-6-[(E)-2-(4-methoxycyclohexyl)ethenyl]pyran-2-one (PubChem CID 140504022) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-methoxy-6-[(E)-2-(4-methoxycyclohexyl)ethenyl]pyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-[(E)-2-(4-methoxycyclohexyl)ethenyl]pyran-2-one
PubChem CID140504022
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name4-methoxy-6-[(E)-2-(4-methoxycyclohexyl)ethenyl]pyran-2-one
SMILESCOc1cc(/C=C/C2CCC(OC)CC2)oc(=O)c1
InChIInChI=1S/C15H20O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h5,8-12H,3-4,6-7H2,1-2H3/b8-5+
InChIKeyXQGKNAUXOPCVSS-VMPITWQZSA-N
XLogP2.87
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[(E)-2-(4-methoxycyclohexyl)ethenyl]pyran-2-one?
The IUPAC name of 4-methoxy-6-[(E)-2-(4-methoxycyclohexyl)ethenyl]pyran-2-one (CID 140504022) is 4-methoxy-6-[(E)-2-(4-methoxycyclohexyl)ethenyl]pyran-2-one.
What is the SMILES notation for 4-methoxy-6-[(E)-2-(4-methoxycyclohexyl)ethenyl]pyran-2-one?
The canonical SMILES for 4-methoxy-6-[(E)-2-(4-methoxycyclohexyl)ethenyl]pyran-2-one is COc1cc(/C=C/C2CCC(OC)CC2)oc(=O)c1.
What is the InChIKey of 4-methoxy-6-[(E)-2-(4-methoxycyclohexyl)ethenyl]pyran-2-one?
The InChIKey is XQGKNAUXOPCVSS-VMPITWQZSA-N. The full InChI is InChI=1S/C15H20O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h5,8-12H,3-4,6-7H2,1-2H3/b8-5+.
What are the key properties of 4-methoxy-6-[(E)-2-(4-methoxycyclohexyl)ethenyl]pyran-2-one?
4-methoxy-6-[(E)-2-(4-methoxycyclohexyl)ethenyl]pyran-2-one has a molecular weight of 264.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[(E)-2-(4-methoxycyclohexyl)ethenyl]pyran-2-one is sourced from PubChem (CID 140504022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).