methyl (E)-9-(furan-2-yl)non-8-enoate

C14H20O3 — CID 11322314

IUPACmethyl (E)-9-(furan-2-yl)non-8-enoate
SMILESCOC(=O)CCCCCC/C=C/c1ccco1
InChIInChI=1S/C14H20O3/c1-16-14(15)11-7-5-3-2-4-6-9-13-10-8-12-17-13/h6,8-10,12H,2-5,7,11H2,1H3/b9-6+
InChIKeyXWSWTVHUZIGKIU-RMKNXTFCSA-N
MW236.31 g/mol
LogP3.81
Rot. Bonds8

About methyl (E)-9-(furan-2-yl)non-8-enoate

methyl (E)-9-(furan-2-yl)non-8-enoate (PubChem CID 11322314) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl (E)-9-(furan-2-yl)non-8-enoate.

Molecular Properties

Compound Namemethyl (E)-9-(furan-2-yl)non-8-enoate
PubChem CID11322314
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namemethyl (E)-9-(furan-2-yl)non-8-enoate
SMILESCOC(=O)CCCCCC/C=C/c1ccco1
InChIInChI=1S/C14H20O3/c1-16-14(15)11-7-5-3-2-4-6-9-13-10-8-12-17-13/h6,8-10,12H,2-5,7,11H2,1H3/b9-6+
InChIKeyXWSWTVHUZIGKIU-RMKNXTFCSA-N
XLogP3.81
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-(furan-2-yl)non-8-enoic acid
CID 54107974
2-tridec-1-enylfuran
CID 76580057
dimethyl (E)-triacont-15-enedioate
CID 10767955
methyl (E)-12-(4-methylphenyl)dodec-11-enoate
CID 169218729
tert-butyl (E)-4-(furan-2-yl)but-3-enoate
CID 102382884
methyl (E)-7-(2-aminophenyl)hept-6-enoate
CID 22010656
methyl (E)-10-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)dec-9-enoate
CID 123895917
dimethyl (E)-hexacos-3-enedioate
CID 118195406
methyl (E)-19-iodononadec-18-enoate
CID 13463205
dimethyl (11E,13E,15E,17E,19E,21E)-dotriaconta-11,13,15,17,19,21-hexaenedioate
CID 12073776
methyl (E)-11-iodoundec-10-enoate
CID 12653836
methyl (Z)-octadec-9-enoate;phenol
CID 67859518

Frequently Asked Questions

What is the IUPAC name of methyl (E)-9-(furan-2-yl)non-8-enoate?
The IUPAC name of methyl (E)-9-(furan-2-yl)non-8-enoate (CID 11322314) is methyl (E)-9-(furan-2-yl)non-8-enoate.
What is the SMILES notation for methyl (E)-9-(furan-2-yl)non-8-enoate?
The canonical SMILES for methyl (E)-9-(furan-2-yl)non-8-enoate is COC(=O)CCCCCC/C=C/c1ccco1.
What is the InChIKey of methyl (E)-9-(furan-2-yl)non-8-enoate?
The InChIKey is XWSWTVHUZIGKIU-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H20O3/c1-16-14(15)11-7-5-3-2-4-6-9-13-10-8-12-17-13/h6,8-10,12H,2-5,7,11H2,1H3/b9-6+.
What are the key properties of methyl (E)-9-(furan-2-yl)non-8-enoate?
methyl (E)-9-(furan-2-yl)non-8-enoate has a molecular weight of 236.31 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-9-(furan-2-yl)non-8-enoate is sourced from PubChem (CID 11322314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).