(3E,7S,11E,13S,15S)-15-methoxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-diene-2,5-dione

C17H24O4 — CID 134930092

IUPAC(3E,7S,11E,13S,15S)-15-methoxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-diene-2,5-dione
SMILESCO[C@@H]1CC2C(=O)/C=C/C(=O)O[C@@H](C)CCC/C=C/[C@@H]2C1
InChIInChI=1S/C17H24O4/c1-12-6-4-3-5-7-13-10-14(20-2)11-15(13)16(18)8-9-17(19)21-12/h5,7-9,12-15H,3-4,6,10-11H2,1-2H3/b7-5+,9-8+/t12-,13+,14-,15?/m0/s1
InChIKeyHIROFTXITYAFBO-FJCGEVSSSA-N
MW292.38 g/mol
LogP2.82
Rot. Bonds1

About (3E,7S,11E,13S,15S)-15-methoxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-diene-2,5-dione

(3E,7S,11E,13S,15S)-15-methoxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-diene-2,5-dione (PubChem CID 134930092) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3E,7S,11E,13S,15S)-15-methoxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-diene-2,5-dione.

Molecular Properties

Compound Name(3E,7S,11E,13S,15S)-15-methoxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-diene-2,5-dione
PubChem CID134930092
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name(3E,7S,11E,13S,15S)-15-methoxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-diene-2,5-dione
SMILESCO[C@@H]1CC2C(=O)/C=C/C(=O)O[C@@H](C)CCC/C=C/[C@@H]2C1
InChIInChI=1S/C17H24O4/c1-12-6-4-3-5-7-13-10-14(20-2)11-15(13)16(18)8-9-17(19)21-12/h5,7-9,12-15H,3-4,6,10-11H2,1-2H3/b7-5+,9-8+/t12-,13+,14-,15?/m0/s1
InChIKeyHIROFTXITYAFBO-FJCGEVSSSA-N
XLogP2.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3E,7S,11E,13S,15S)-15-methoxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-diene-2,5-dione with MolForge

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Related Compounds

Prostaglandins
CID 6145931
(1S,2S,3E,7R,11E,13R)-2-Hydroxy-7-methyl 6-oxabicyclo[11.3.0]hexadecane-3,11-diene-5,15-dione
CID 100625136
MKN-003a
CID 11075054
Sarcostolide F
CID 24970506
[(1S,3E,5R,7S,10R,11E,13R,14R)-3,6,6,10,14-pentamethyl-2,9-dioxo-13-tricyclo[10.3.0.05,7]pentadeca-3,11-dienyl] acetate
CID 145967978
Sarcostolide G
CID 24970509
methyl (Z)-7-[(1R)-5-[(E,3S)-3-acetyloxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoate
CID 44825953
(2S)-2-(6-methyl-7-oxooctyl)-2H-furan-5-one
CID 10799173
[(2R,3R,3aS,4Z,8S,9E,11R,12aS)-2,5,11-trimethyl-6,12-dioxo-8-prop-1-en-2-yl-1,2,3,3a,7,8,11,12a-octahydrocyclopenta[11]annulen-3-yl] acetate
CID 145975977
7-oxobrefeldin A
CID 6441091
NCGC00380913-01_C20H28O5_2(3H)-Furanone, 5-[4-[1-(acetyloxy)-4-oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl]butyl]dihydro-
CID 51136449
(2Z,4R,10Z,13R)-4-pentyl-5-oxabicyclo[11.3.0]hexadeca-2,10,15-triene-6,14-dione
CID 44267941

Frequently Asked Questions

What is the IUPAC name of (3E,7S,11E,13S,15S)-15-methoxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-diene-2,5-dione?
The IUPAC name of (3E,7S,11E,13S,15S)-15-methoxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-diene-2,5-dione (CID 134930092) is (3E,7S,11E,13S,15S)-15-methoxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-diene-2,5-dione.
What is the SMILES notation for (3E,7S,11E,13S,15S)-15-methoxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-diene-2,5-dione?
The canonical SMILES for (3E,7S,11E,13S,15S)-15-methoxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-diene-2,5-dione is CO[C@@H]1CC2C(=O)/C=C/C(=O)O[C@@H](C)CCC/C=C/[C@@H]2C1.
What is the InChIKey of (3E,7S,11E,13S,15S)-15-methoxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-diene-2,5-dione?
The InChIKey is HIROFTXITYAFBO-FJCGEVSSSA-N. The full InChI is InChI=1S/C17H24O4/c1-12-6-4-3-5-7-13-10-14(20-2)11-15(13)16(18)8-9-17(19)21-12/h5,7-9,12-15H,3-4,6,10-11H2,1-2H3/b7-5+,9-8+/t12-,13+,14-,15?/m0/s1.
What are the key properties of (3E,7S,11E,13S,15S)-15-methoxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-diene-2,5-dione?
(3E,7S,11E,13S,15S)-15-methoxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-diene-2,5-dione has a molecular weight of 292.38 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7S,11E,13S,15S)-15-methoxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-diene-2,5-dione is sourced from PubChem (CID 134930092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).