4-methoxy-2-[(E)-2-(4-methoxycyclohexyl)ethenyl]-2,3-dihydropyran-6-one

C15H22O4 — CID 140504014

IUPAC4-methoxy-2-[(E)-2-(4-methoxycyclohexyl)ethenyl]-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)OC(/C=C/C2CCC(OC)CC2)C1
InChIInChI=1S/C15H22O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h5,8,10-13H,3-4,6-7,9H2,1-2H3/b8-5+
InChIKeyBWRKDXMKUUDIFV-VMPITWQZSA-N
MW266.34 g/mol
LogP2.59
Rot. Bonds4

About 4-methoxy-2-[(E)-2-(4-methoxycyclohexyl)ethenyl]-2,3-dihydropyran-6-one

4-methoxy-2-[(E)-2-(4-methoxycyclohexyl)ethenyl]-2,3-dihydropyran-6-one (PubChem CID 140504014) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-methoxy-2-[(E)-2-(4-methoxycyclohexyl)ethenyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name4-methoxy-2-[(E)-2-(4-methoxycyclohexyl)ethenyl]-2,3-dihydropyran-6-one
PubChem CID140504014
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name4-methoxy-2-[(E)-2-(4-methoxycyclohexyl)ethenyl]-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)OC(/C=C/C2CCC(OC)CC2)C1
InChIInChI=1S/C15H22O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h5,8,10-13H,3-4,6-7,9H2,1-2H3/b8-5+
InChIKeyBWRKDXMKUUDIFV-VMPITWQZSA-N
XLogP2.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(+)-fusaritricin A
CID 170990137
(-)-fusaritricin A
CID 170990138
Fusaritricin B
CID 170990139
4-Methoxy-4a,5,6,7,8,8a-hexahydrochromen-2-one
CID 12213832
2-Cyclohexyl-4-methoxy-2,3-dihydropyran-6-one
CID 24829159
methyl 6-cyclohexyl-3-ethyl-2-propyl-2H-pyran-5-carboxylate
CID 56641001
[(1S,8S,9R)-8-ethyl-12-oxatricyclo[7.2.1.01,6]dodeca-6,10-dien-7-yl] acetate
CID 71726275
(2S,3R)-4-methoxy-3-methyl-2-propan-2-yl-2,3-dihydropyran-6-one
CID 101955745
(2S,3R)-2-cyclohexyl-4-methoxy-3-methyl-2,3-dihydropyran-6-one
CID 101955746
[(1S,8S,9R)-8-but-3-enyl-12-oxatricyclo[7.2.1.01,6]dodeca-6,10-dien-7-yl] acetate
CID 102105211
[(2R)-2-cyclohexyl-5-oxo-2H-furan-3-yl] acetate
CID 102186232
ethyl (2R,6S)-4-(cyclohexylmethoxy)-6-ethenyl-2-methyl-3,6-dihydro-2H-pyran-5-carboxylate
CID 134956984

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(E)-2-(4-methoxycyclohexyl)ethenyl]-2,3-dihydropyran-6-one?
The IUPAC name of 4-methoxy-2-[(E)-2-(4-methoxycyclohexyl)ethenyl]-2,3-dihydropyran-6-one (CID 140504014) is 4-methoxy-2-[(E)-2-(4-methoxycyclohexyl)ethenyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for 4-methoxy-2-[(E)-2-(4-methoxycyclohexyl)ethenyl]-2,3-dihydropyran-6-one?
The canonical SMILES for 4-methoxy-2-[(E)-2-(4-methoxycyclohexyl)ethenyl]-2,3-dihydropyran-6-one is COC1=CC(=O)OC(/C=C/C2CCC(OC)CC2)C1.
What is the InChIKey of 4-methoxy-2-[(E)-2-(4-methoxycyclohexyl)ethenyl]-2,3-dihydropyran-6-one?
The InChIKey is BWRKDXMKUUDIFV-VMPITWQZSA-N. The full InChI is InChI=1S/C15H22O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h5,8,10-13H,3-4,6-7,9H2,1-2H3/b8-5+.
What are the key properties of 4-methoxy-2-[(E)-2-(4-methoxycyclohexyl)ethenyl]-2,3-dihydropyran-6-one?
4-methoxy-2-[(E)-2-(4-methoxycyclohexyl)ethenyl]-2,3-dihydropyran-6-one has a molecular weight of 266.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(E)-2-(4-methoxycyclohexyl)ethenyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 140504014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).