methyl 14-(furan-2-yl)-5,12-dihydroxytetradeca-6,10-dienoate

C19H28O5 — CID 70461055

IUPACmethyl 14-(furan-2-yl)-5,12-dihydroxytetradeca-6,10-dienoate
SMILESCOC(=O)CCCC(O)C=CCCC=CC(O)CCc1ccco1
InChIInChI=1S/C19H28O5/c1-23-19(22)12-6-10-16(20)8-4-2-3-5-9-17(21)13-14-18-11-7-15-24-18/h4-5,7-9,11,15-17,20-21H,2-3,6,10,12-14H2,1H3
InChIKeyFTPRWKAIOMMZNJ-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.17
Rot. Bonds12

About methyl 14-(furan-2-yl)-5,12-dihydroxytetradeca-6,10-dienoate

methyl 14-(furan-2-yl)-5,12-dihydroxytetradeca-6,10-dienoate (PubChem CID 70461055) has the molecular formula C19H28O5 and a molecular weight of 336.43 g/mol. Its IUPAC name is methyl 14-(furan-2-yl)-5,12-dihydroxytetradeca-6,10-dienoate.

Molecular Properties

Compound Namemethyl 14-(furan-2-yl)-5,12-dihydroxytetradeca-6,10-dienoate
PubChem CID70461055
Molecular FormulaC19H28O5
Molecular Weight336.43 g/mol
Exact Mass336.19
IUPAC Namemethyl 14-(furan-2-yl)-5,12-dihydroxytetradeca-6,10-dienoate
SMILESCOC(=O)CCCC(O)C=CCCC=CC(O)CCc1ccco1
InChIInChI=1S/C19H28O5/c1-23-19(22)12-6-10-16(20)8-4-2-3-5-9-17(21)13-14-18-11-7-15-24-18/h4-5,7-9,11,15-17,20-21H,2-3,6,10,12-14H2,1H3
InChIKeyFTPRWKAIOMMZNJ-UHFFFAOYSA-N
XLogP3.17
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate
CID 43478962
methyl 3-[2-(furan-2-yl)ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 139215995
methyl 4-(furan-2-ylmethylamino)butanoate
CID 30403384
N-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide
CID 61249924
methyl (5Z,14Z,16R)-16-hydroxyicosa-5,14-dienoate
CID 59063224
methyl (E)-9-(furan-2-yl)non-8-enoate
CID 11322314
methyl 6-[[N-[2-(furan-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]hexanoate;hydroiodide
CID 111355009
methyl 10-[5-(furan-2-ylmethyl)furan-3-yl]-3,7-dimethyldec-7-enoate
CID 163047395
(E)-4-[4-(furan-2-yl)butan-2-ylamino]but-2-enoic acid
CID 103246839
(2R)-4-(furan-2-yl)-2-hydroxybutanoic acid
CID 141032870
[(1S,2R,3R,4R)-4-benzoyloxy-3-[(E)-5-(furan-2-yl)-3-hydroxypent-1-enyl]-2-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] benzoate
CID 139219530
methyl (5S)-5-hydroxy-5-phenylpentanoate
CID 25209922

Frequently Asked Questions

What is the IUPAC name of methyl 14-(furan-2-yl)-5,12-dihydroxytetradeca-6,10-dienoate?
The IUPAC name of methyl 14-(furan-2-yl)-5,12-dihydroxytetradeca-6,10-dienoate (CID 70461055) is methyl 14-(furan-2-yl)-5,12-dihydroxytetradeca-6,10-dienoate.
What is the SMILES notation for methyl 14-(furan-2-yl)-5,12-dihydroxytetradeca-6,10-dienoate?
The canonical SMILES for methyl 14-(furan-2-yl)-5,12-dihydroxytetradeca-6,10-dienoate is COC(=O)CCCC(O)C=CCCC=CC(O)CCc1ccco1.
What is the InChIKey of methyl 14-(furan-2-yl)-5,12-dihydroxytetradeca-6,10-dienoate?
The InChIKey is FTPRWKAIOMMZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O5/c1-23-19(22)12-6-10-16(20)8-4-2-3-5-9-17(21)13-14-18-11-7-15-24-18/h4-5,7-9,11,15-17,20-21H,2-3,6,10,12-14H2,1H3.
What are the key properties of methyl 14-(furan-2-yl)-5,12-dihydroxytetradeca-6,10-dienoate?
methyl 14-(furan-2-yl)-5,12-dihydroxytetradeca-6,10-dienoate has a molecular weight of 336.43 g/mol, XLogP of 3.17, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 14-(furan-2-yl)-5,12-dihydroxytetradeca-6,10-dienoate is sourced from PubChem (CID 70461055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).