(4E,6S,11E,13R,14S)-14-methoxy-6,13-dimethyl-1,8-dioxacyclopentadeca-4,11-diene-2,9-dione

C16H24O5 — CID 6917459

IUPAC(4E,6S,11E,13R,14S)-14-methoxy-6,13-dimethyl-1,8-dioxacyclopentadeca-4,11-diene-2,9-dione
SMILESCO[C@@H]1COC(=O)C/C=C/[C@H](C)COC(=O)C/C=C/[C@H]1C
InChIInChI=1S/C16H24O5/c1-12-6-4-8-16(18)21-11-14(19-3)13(2)7-5-9-15(17)20-10-12/h4-7,12-14H,8-11H2,1-3H3/b6-4+,7-5+/t12-,13+,14+/m0/s1
InChIKeyFXDCAHNBWPITKH-HEWXFWOWSA-N
MW296.36 g/mol
LogP2.27
Rot. Bonds1

About (4E,6S,11E,13R,14S)-14-methoxy-6,13-dimethyl-1,8-dioxacyclopentadeca-4,11-diene-2,9-dione

(4E,6S,11E,13R,14S)-14-methoxy-6,13-dimethyl-1,8-dioxacyclopentadeca-4,11-diene-2,9-dione (PubChem CID 6917459) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is (4E,6S,11E,13R,14S)-14-methoxy-6,13-dimethyl-1,8-dioxacyclopentadeca-4,11-diene-2,9-dione.

Molecular Properties

Compound Name(4E,6S,11E,13R,14S)-14-methoxy-6,13-dimethyl-1,8-dioxacyclopentadeca-4,11-diene-2,9-dione
PubChem CID6917459
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Name(4E,6S,11E,13R,14S)-14-methoxy-6,13-dimethyl-1,8-dioxacyclopentadeca-4,11-diene-2,9-dione
SMILESCO[C@@H]1COC(=O)C/C=C/[C@H](C)COC(=O)C/C=C/[C@H]1C
InChIInChI=1S/C16H24O5/c1-12-6-4-8-16(18)21-11-14(19-3)13(2)7-5-9-15(17)20-10-12/h4-7,12-14H,8-11H2,1-3H3/b6-4+,7-5+/t12-,13+,14+/m0/s1
InChIKeyFXDCAHNBWPITKH-HEWXFWOWSA-N
XLogP2.27
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4E,6S,11E,13R,14S)-14-methoxy-6,13-dimethyl-1,8-dioxacyclopentadeca-4,11-diene-2,9-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4E,6S,11E,13R,14S)-14-methoxy-6,13-dimethyl-1,8-dioxacyclopentadeca-4,11-diene-2,9-dione?
The IUPAC name of (4E,6S,11E,13R,14S)-14-methoxy-6,13-dimethyl-1,8-dioxacyclopentadeca-4,11-diene-2,9-dione (CID 6917459) is (4E,6S,11E,13R,14S)-14-methoxy-6,13-dimethyl-1,8-dioxacyclopentadeca-4,11-diene-2,9-dione.
What is the SMILES notation for (4E,6S,11E,13R,14S)-14-methoxy-6,13-dimethyl-1,8-dioxacyclopentadeca-4,11-diene-2,9-dione?
The canonical SMILES for (4E,6S,11E,13R,14S)-14-methoxy-6,13-dimethyl-1,8-dioxacyclopentadeca-4,11-diene-2,9-dione is CO[C@@H]1COC(=O)C/C=C/[C@H](C)COC(=O)C/C=C/[C@H]1C.
What is the InChIKey of (4E,6S,11E,13R,14S)-14-methoxy-6,13-dimethyl-1,8-dioxacyclopentadeca-4,11-diene-2,9-dione?
The InChIKey is FXDCAHNBWPITKH-HEWXFWOWSA-N. The full InChI is InChI=1S/C16H24O5/c1-12-6-4-8-16(18)21-11-14(19-3)13(2)7-5-9-15(17)20-10-12/h4-7,12-14H,8-11H2,1-3H3/b6-4+,7-5+/t12-,13+,14+/m0/s1.
What are the key properties of (4E,6S,11E,13R,14S)-14-methoxy-6,13-dimethyl-1,8-dioxacyclopentadeca-4,11-diene-2,9-dione?
(4E,6S,11E,13R,14S)-14-methoxy-6,13-dimethyl-1,8-dioxacyclopentadeca-4,11-diene-2,9-dione has a molecular weight of 296.36 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6S,11E,13R,14S)-14-methoxy-6,13-dimethyl-1,8-dioxacyclopentadeca-4,11-diene-2,9-dione is sourced from PubChem (CID 6917459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).