(11E)-6,10-dimethoxy-1-oxacyclotetradec-11-ene-2,7-dione

C15H24O5 — CID 24973617

IUPAC(11E)-6,10-dimethoxy-1-oxacyclotetradec-11-ene-2,7-dione
SMILESCOC1/C=C/CCOC(=O)CCCC(OC)C(=O)CC1
InChIInChI=1S/C15H24O5/c1-18-12-6-3-4-11-20-15(17)8-5-7-14(19-2)13(16)10-9-12/h3,6,12,14H,4-5,7-11H2,1-2H3/b6-3+
InChIKeyLYHSKDMBEFXXHC-ZZXKWVIFSA-N
MW284.35 g/mol
LogP2.04
Rot. Bonds2

About (11E)-6,10-dimethoxy-1-oxacyclotetradec-11-ene-2,7-dione

(11E)-6,10-dimethoxy-1-oxacyclotetradec-11-ene-2,7-dione (PubChem CID 24973617) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is (11E)-6,10-dimethoxy-1-oxacyclotetradec-11-ene-2,7-dione.

Molecular Properties

Compound Name(11E)-6,10-dimethoxy-1-oxacyclotetradec-11-ene-2,7-dione
PubChem CID24973617
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name(11E)-6,10-dimethoxy-1-oxacyclotetradec-11-ene-2,7-dione
SMILESCOC1/C=C/CCOC(=O)CCCC(OC)C(=O)CC1
InChIInChI=1S/C15H24O5/c1-18-12-6-3-4-11-20-15(17)8-5-7-14(19-2)13(16)10-9-12/h3,6,12,14H,4-5,7-11H2,1-2H3/b6-3+
InChIKeyLYHSKDMBEFXXHC-ZZXKWVIFSA-N
XLogP2.04
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (11E)-6,10-dimethoxy-1-oxacyclotetradec-11-ene-2,7-dione?
The IUPAC name of (11E)-6,10-dimethoxy-1-oxacyclotetradec-11-ene-2,7-dione (CID 24973617) is (11E)-6,10-dimethoxy-1-oxacyclotetradec-11-ene-2,7-dione.
What is the SMILES notation for (11E)-6,10-dimethoxy-1-oxacyclotetradec-11-ene-2,7-dione?
The canonical SMILES for (11E)-6,10-dimethoxy-1-oxacyclotetradec-11-ene-2,7-dione is COC1/C=C/CCOC(=O)CCCC(OC)C(=O)CC1.
What is the InChIKey of (11E)-6,10-dimethoxy-1-oxacyclotetradec-11-ene-2,7-dione?
The InChIKey is LYHSKDMBEFXXHC-ZZXKWVIFSA-N. The full InChI is InChI=1S/C15H24O5/c1-18-12-6-3-4-11-20-15(17)8-5-7-14(19-2)13(16)10-9-12/h3,6,12,14H,4-5,7-11H2,1-2H3/b6-3+.
What are the key properties of (11E)-6,10-dimethoxy-1-oxacyclotetradec-11-ene-2,7-dione?
(11E)-6,10-dimethoxy-1-oxacyclotetradec-11-ene-2,7-dione has a molecular weight of 284.35 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11E)-6,10-dimethoxy-1-oxacyclotetradec-11-ene-2,7-dione is sourced from PubChem (CID 24973617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).