4-[(3E)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-2-methoxy-2H-furan-5-one

C16H24O4 — CID 10779138

IUPAC4-[(3E)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-2-methoxy-2H-furan-5-one
SMILESCOC1C=C(CC/C=C(\C)C(O)CC=C(C)C)C(=O)O1
InChIInChI=1S/C16H24O4/c1-11(2)8-9-14(17)12(3)6-5-7-13-10-15(19-4)20-16(13)18/h6,8,10,14-15,17H,5,7,9H2,1-4H3/b12-6+
InChIKeyKWJDQWGBHWFRJA-WUXMJOGZSA-N
MW280.36 g/mol
LogP2.89
Rot. Bonds7

About 4-[(3E)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-2-methoxy-2H-furan-5-one

4-[(3E)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-2-methoxy-2H-furan-5-one (PubChem CID 10779138) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 4-[(3E)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-2-methoxy-2H-furan-5-one.

Molecular Properties

Compound Name4-[(3E)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-2-methoxy-2H-furan-5-one
PubChem CID10779138
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name4-[(3E)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-2-methoxy-2H-furan-5-one
SMILESCOC1C=C(CC/C=C(\C)C(O)CC=C(C)C)C(=O)O1
InChIInChI=1S/C16H24O4/c1-11(2)8-9-14(17)12(3)6-5-7-13-10-15(19-4)20-16(13)18/h6,8,10,14-15,17H,5,7,9H2,1-4H3/b12-6+
InChIKeyKWJDQWGBHWFRJA-WUXMJOGZSA-N
XLogP2.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(3E)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-2-methoxy-2H-furan-5-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(2E,6E)-8-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]-4-methyl-2H-furan-5-one
CID 143713877
(2R)-4-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one
CID 162932378
5-hydroxy-5-[(2R,6E,10E)-13-(2-methoxy-5-oxo-2H-furan-4-yl)-2,6,10-trimethyltrideca-6,10-dienyl]-3-methylfuran-2-one
CID 163108186
(5E)-7-hydroxy-6,10-dimethylundeca-5,9-dien-2-one
CID 91999240
(2E)-3,7-dimethylocta-2,6-diene-1,4-diol
CID 22323960
(2Z,4S)-3,7-dimethylocta-2,6-diene-1,4-diol
CID 154496007
(2R,6E,10E)-13-(2-hydroxy-5-oxo-2H-furan-4-yl)-2,6,10-trimethyltrideca-6,10-dienoic acid
CID 163107949
(2R)-4-[2-[(1S,2S,4aS,5S,6R,7R,8aR)-6,7-dihydroxy-1,2,4a-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]ethyl]-2-methoxy-2H-furan-5-one
CID 38352067
7-[(8R)-8-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one
CID 163036218
2-[(2S)-2,6-dimethylhept-5-enyl]-2,3-dihydropyran-4-one
CID 101184082
2,6-dimethylhepta-2,5-diene;(3S)-3-hydroxy-6-methylhept-5-en-2-one
CID 160955603
(2R)-2-[2,5-bis(hydroxymethyl)phenyl]-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one
CID 130314279

Frequently Asked Questions

What is the IUPAC name of 4-[(3E)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-2-methoxy-2H-furan-5-one?
The IUPAC name of 4-[(3E)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-2-methoxy-2H-furan-5-one (CID 10779138) is 4-[(3E)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-2-methoxy-2H-furan-5-one.
What is the SMILES notation for 4-[(3E)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-2-methoxy-2H-furan-5-one?
The canonical SMILES for 4-[(3E)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-2-methoxy-2H-furan-5-one is COC1C=C(CC/C=C(\C)C(O)CC=C(C)C)C(=O)O1.
What is the InChIKey of 4-[(3E)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-2-methoxy-2H-furan-5-one?
The InChIKey is KWJDQWGBHWFRJA-WUXMJOGZSA-N. The full InChI is InChI=1S/C16H24O4/c1-11(2)8-9-14(17)12(3)6-5-7-13-10-15(19-4)20-16(13)18/h6,8,10,14-15,17H,5,7,9H2,1-4H3/b12-6+.
What are the key properties of 4-[(3E)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-2-methoxy-2H-furan-5-one?
4-[(3E)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-2-methoxy-2H-furan-5-one has a molecular weight of 280.36 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-2-methoxy-2H-furan-5-one is sourced from PubChem (CID 10779138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).