(3Z,5R)-3-[(2E,4E,6E)-1-hydroxy-4,6-dimethylocta-2,4,6-trienylidene]-5-(hydroxymethyl)oxolane-2,4-dione

C15H18O5 — CID 135038958

IUPAC(3Z,5R)-3-[(2E,4E,6E)-1-hydroxy-4,6-dimethylocta-2,4,6-trienylidene]-5-(hydroxymethyl)oxolane-2,4-dione
SMILESC/C=C(C)/C=C(C)/C=C/C(O)=C1/C(=O)O[C@H](CO)C1=O
InChIInChI=1S/C15H18O5/c1-4-9(2)7-10(3)5-6-11(17)13-14(18)12(8-16)20-15(13)19/h4-7,12,16-17H,8H2,1-3H3/b6-5+,9-4+,10-7+,13-11-/t12-/m1/s1
InChIKeyOMAXLFPXHHLNMZ-KJCHAWPRSA-N
MW278.30 g/mol
LogP1.75
Rot. Bonds4

About (3Z,5R)-3-[(2E,4E,6E)-1-hydroxy-4,6-dimethylocta-2,4,6-trienylidene]-5-(hydroxymethyl)oxolane-2,4-dione

(3Z,5R)-3-[(2E,4E,6E)-1-hydroxy-4,6-dimethylocta-2,4,6-trienylidene]-5-(hydroxymethyl)oxolane-2,4-dione (PubChem CID 135038958) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is (3Z,5R)-3-[(2E,4E,6E)-1-hydroxy-4,6-dimethylocta-2,4,6-trienylidene]-5-(hydroxymethyl)oxolane-2,4-dione.

Molecular Properties

Compound Name(3Z,5R)-3-[(2E,4E,6E)-1-hydroxy-4,6-dimethylocta-2,4,6-trienylidene]-5-(hydroxymethyl)oxolane-2,4-dione
PubChem CID135038958
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name(3Z,5R)-3-[(2E,4E,6E)-1-hydroxy-4,6-dimethylocta-2,4,6-trienylidene]-5-(hydroxymethyl)oxolane-2,4-dione
SMILESC/C=C(C)/C=C(C)/C=C/C(O)=C1/C(=O)O[C@H](CO)C1=O
InChIInChI=1S/C15H18O5/c1-4-9(2)7-10(3)5-6-11(17)13-14(18)12(8-16)20-15(13)19/h4-7,12,16-17H,8H2,1-3H3/b6-5+,9-4+,10-7+,13-11-/t12-/m1/s1
InChIKeyOMAXLFPXHHLNMZ-KJCHAWPRSA-N
XLogP1.75
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5R)-3-[(2E,4E,6E)-1-hydroxy-4,6-dimethylocta-2,4,6-trienylidene]-5-(hydroxymethyl)oxolane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-hydroxyprop-2-enyl)-4-[(E)-pent-1-enyl]-2,5-dihydrofuran-3-carboxylic acid
CID 56683161
(5S,6S)-5-(1-carboxyethoxy)-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
CID 4369272
tert-butyl (E,4Z)-4-hydroxy-4-[(5R)-5-methyl-2,4-dioxooxolan-3-ylidene]but-2-enoate
CID 134861162
(3Z,5R)-5-(hydroxymethyl)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]oxolane-2,4-dione
CID 135011429
[(1S,5R)-5-acetyloxy-2-[(E)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl] acetate
CID 22804446
[(1S,5R)-5-acetyloxy-2-(3-hydroxyoct-1-enyl)-4-oxocyclopent-2-en-1-yl] acetate
CID 57184602
(5S)-5-[(1E,3E)-hexa-1,3-dienyl]-2-(2-hydroxypropyl)-5-methyl-4-oxofuran-3-carboxylic acid
CID 101371408
5-Hexa-1,3-dienyl-2-(2-hydroxypropyl)-5-methyl-4-oxofuran-3-carboxylic acid
CID 139880964
methyl 2-[(2Z)-2-[(3Z,5E,8S,9S,11Z,14S)-8,9-dihydroxy-3-(1-hydroxyprop-2-enylidene)-14-methyl-2,10-dioxo-1-oxacyclotetradeca-5,11-dien-4-ylidene]ethoxy]acetate
CID 143015464
5-[(1E,3E)-hexa-1,3-dienyl]-2-(2-methoxypropyl)-4-oxofuran-3-carboxylic acid
CID 166126806
5-[(1E,3E)-hexa-1,3-dienyl]-2-(3-hydroxy-2-methylpropyl)-4-oxofuran-3-carboxylic acid
CID 166126817
5-[(1E,3E)-hexa-1,3-dienyl]-2-(2-hydroxypropyl)-4-oxofuran-3-carboxylic acid
CID 166126820

Frequently Asked Questions

What is the IUPAC name of (3Z,5R)-3-[(2E,4E,6E)-1-hydroxy-4,6-dimethylocta-2,4,6-trienylidene]-5-(hydroxymethyl)oxolane-2,4-dione?
The IUPAC name of (3Z,5R)-3-[(2E,4E,6E)-1-hydroxy-4,6-dimethylocta-2,4,6-trienylidene]-5-(hydroxymethyl)oxolane-2,4-dione (CID 135038958) is (3Z,5R)-3-[(2E,4E,6E)-1-hydroxy-4,6-dimethylocta-2,4,6-trienylidene]-5-(hydroxymethyl)oxolane-2,4-dione.
What is the SMILES notation for (3Z,5R)-3-[(2E,4E,6E)-1-hydroxy-4,6-dimethylocta-2,4,6-trienylidene]-5-(hydroxymethyl)oxolane-2,4-dione?
The canonical SMILES for (3Z,5R)-3-[(2E,4E,6E)-1-hydroxy-4,6-dimethylocta-2,4,6-trienylidene]-5-(hydroxymethyl)oxolane-2,4-dione is C/C=C(C)/C=C(C)/C=C/C(O)=C1/C(=O)O[C@H](CO)C1=O.
What is the InChIKey of (3Z,5R)-3-[(2E,4E,6E)-1-hydroxy-4,6-dimethylocta-2,4,6-trienylidene]-5-(hydroxymethyl)oxolane-2,4-dione?
The InChIKey is OMAXLFPXHHLNMZ-KJCHAWPRSA-N. The full InChI is InChI=1S/C15H18O5/c1-4-9(2)7-10(3)5-6-11(17)13-14(18)12(8-16)20-15(13)19/h4-7,12,16-17H,8H2,1-3H3/b6-5+,9-4+,10-7+,13-11-/t12-/m1/s1.
What are the key properties of (3Z,5R)-3-[(2E,4E,6E)-1-hydroxy-4,6-dimethylocta-2,4,6-trienylidene]-5-(hydroxymethyl)oxolane-2,4-dione?
(3Z,5R)-3-[(2E,4E,6E)-1-hydroxy-4,6-dimethylocta-2,4,6-trienylidene]-5-(hydroxymethyl)oxolane-2,4-dione has a molecular weight of 278.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5R)-3-[(2E,4E,6E)-1-hydroxy-4,6-dimethylocta-2,4,6-trienylidene]-5-(hydroxymethyl)oxolane-2,4-dione is sourced from PubChem (CID 135038958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).