4-(methoxymethoxy)-3,5-dimethyl-5-[(4E,6E)-3-oxoocta-4,6-dienyl]furan-2-one

C16H22O5 — CID 11737960

IUPAC4-(methoxymethoxy)-3,5-dimethyl-5-[(4E,6E)-3-oxoocta-4,6-dienyl]furan-2-one
SMILESC/C=C/C=C/C(=O)CCC1(C)OC(=O)C(C)=C1OCOC
InChIInChI=1S/C16H22O5/c1-5-6-7-8-13(17)9-10-16(3)14(20-11-19-4)12(2)15(18)21-16/h5-8H,9-11H2,1-4H3/b6-5+,8-7+
InChIKeyNXTPKHCZBKSRAX-BSWSSELBSA-N
MW294.35 g/mol
LogP2.68
Rot. Bonds8

About 4-(methoxymethoxy)-3,5-dimethyl-5-[(4E,6E)-3-oxoocta-4,6-dienyl]furan-2-one

4-(methoxymethoxy)-3,5-dimethyl-5-[(4E,6E)-3-oxoocta-4,6-dienyl]furan-2-one (PubChem CID 11737960) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-(methoxymethoxy)-3,5-dimethyl-5-[(4E,6E)-3-oxoocta-4,6-dienyl]furan-2-one.

Molecular Properties

Compound Name4-(methoxymethoxy)-3,5-dimethyl-5-[(4E,6E)-3-oxoocta-4,6-dienyl]furan-2-one
PubChem CID11737960
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name4-(methoxymethoxy)-3,5-dimethyl-5-[(4E,6E)-3-oxoocta-4,6-dienyl]furan-2-one
SMILESC/C=C/C=C/C(=O)CCC1(C)OC(=O)C(C)=C1OCOC
InChIInChI=1S/C16H22O5/c1-5-6-7-8-13(17)9-10-16(3)14(20-11-19-4)12(2)15(18)21-16/h5-8H,9-11H2,1-4H3/b6-5+,8-7+
InChIKeyNXTPKHCZBKSRAX-BSWSSELBSA-N
XLogP2.68
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-(methoxymethoxy)-3,5-dimethyl-5-[(4E,6E)-3-oxoocta-4,6-dienyl]furan-2-one with MolForge

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Related Compounds

[3-Methoxy-2-(3-methyl-4-oxopent-1-en-2-yl)-5-oxofuran-2-yl] acetate
CID 57218398
Vertinolide
CID 54687856
(+/-)-Vertinolide
CID 54686508
(5S)-4-(methoxymethoxy)-3,5-dimethyl-5-(3-oxooct-4-ynyl)furan-2-one
CID 11055496
(5S)-4-(methoxymethoxy)-3,5-dimethyl-5-[(4E,6E)-3-oxoocta-4,6-dienyl]furan-2-one
CID 15298158
methoxymethyl (4E,6E)-2-[[(2S)-3-(methoxymethoxy)-2,4-dimethyl-5-oxofuran-2-yl]methyl]-3-oxoocta-4,6-dienoate
CID 134973768
(+)-Vertinolide
CID 92529307
4-(Methoxymethoxy)-3,5-dimethyl-5-(3-oxobutyl)furan-2-one
CID 10955730
(5S)-4-methoxy-3,5-dimethyl-5-[(4E,6E)-3-oxoocta-4,6-dienyl]furan-2-one
CID 163076095
[5-Acetyl-1-(3-methylbutanoyloxy)cyclohexa-2,4-dien-1-yl]methyl 3-methylbutanoate
CID 20535240
4-Hydroxy-3,5-dimethyl-5-(3-oxoocta-4,6-dienyl)furan-2-one
CID 54675994
(5R)-4-hydroxy-3,5-dimethyl-5-[(4Z,6Z)-3-oxoocta-4,6-dienyl]furan-2-one
CID 92529305

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-3,5-dimethyl-5-[(4E,6E)-3-oxoocta-4,6-dienyl]furan-2-one?
The IUPAC name of 4-(methoxymethoxy)-3,5-dimethyl-5-[(4E,6E)-3-oxoocta-4,6-dienyl]furan-2-one (CID 11737960) is 4-(methoxymethoxy)-3,5-dimethyl-5-[(4E,6E)-3-oxoocta-4,6-dienyl]furan-2-one.
What is the SMILES notation for 4-(methoxymethoxy)-3,5-dimethyl-5-[(4E,6E)-3-oxoocta-4,6-dienyl]furan-2-one?
The canonical SMILES for 4-(methoxymethoxy)-3,5-dimethyl-5-[(4E,6E)-3-oxoocta-4,6-dienyl]furan-2-one is C/C=C/C=C/C(=O)CCC1(C)OC(=O)C(C)=C1OCOC.
What is the InChIKey of 4-(methoxymethoxy)-3,5-dimethyl-5-[(4E,6E)-3-oxoocta-4,6-dienyl]furan-2-one?
The InChIKey is NXTPKHCZBKSRAX-BSWSSELBSA-N. The full InChI is InChI=1S/C16H22O5/c1-5-6-7-8-13(17)9-10-16(3)14(20-11-19-4)12(2)15(18)21-16/h5-8H,9-11H2,1-4H3/b6-5+,8-7+.
What are the key properties of 4-(methoxymethoxy)-3,5-dimethyl-5-[(4E,6E)-3-oxoocta-4,6-dienyl]furan-2-one?
4-(methoxymethoxy)-3,5-dimethyl-5-[(4E,6E)-3-oxoocta-4,6-dienyl]furan-2-one has a molecular weight of 294.35 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-3,5-dimethyl-5-[(4E,6E)-3-oxoocta-4,6-dienyl]furan-2-one is sourced from PubChem (CID 11737960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).