(3Z,11E)-3,4-dibromo-1,6-dioxacyclotrideca-3,11-diene

C11H16Br2O2 — CID 177492056

IUPAC(3Z,11E)-3,4-dibromo-1,6-dioxacyclotrideca-3,11-diene
SMILESBr/C1=C(\Br)COCCCC/C=C/COC1
InChIInChI=1S/C11H16Br2O2/c12-10-8-14-6-4-2-1-3-5-7-15-9-11(10)13/h2,4H,1,3,5-9H2/b4-2+,11-10-
InChIKeyMJBPTUCKMWRGER-ZSLCMEJMSA-N
MW340.06 g/mol
LogP3.76
Rot. Bonds

About (3Z,11E)-3,4-dibromo-1,6-dioxacyclotrideca-3,11-diene

(3Z,11E)-3,4-dibromo-1,6-dioxacyclotrideca-3,11-diene (PubChem CID 177492056) has the molecular formula C11H16Br2O2 and a molecular weight of 340.06 g/mol. Its IUPAC name is (3Z,11E)-3,4-dibromo-1,6-dioxacyclotrideca-3,11-diene.

Molecular Properties

Compound Name(3Z,11E)-3,4-dibromo-1,6-dioxacyclotrideca-3,11-diene
PubChem CID177492056
Molecular FormulaC11H16Br2O2
Molecular Weight340.06 g/mol
Exact Mass337.95
IUPAC Name(3Z,11E)-3,4-dibromo-1,6-dioxacyclotrideca-3,11-diene
SMILESBr/C1=C(\Br)COCCCC/C=C/COC1
InChIInChI=1S/C11H16Br2O2/c12-10-8-14-6-4-2-1-3-5-7-15-9-11(10)13/h2,4H,1,3,5-9H2/b4-2+,11-10-
InChIKeyMJBPTUCKMWRGER-ZSLCMEJMSA-N
XLogP3.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.06
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[(E)-2,3-dibromo-4-prop-2-enoxybut-2-enoxy]hex-1-ene
CID 122367443

Frequently Asked Questions

What is the IUPAC name of (3Z,11E)-3,4-dibromo-1,6-dioxacyclotrideca-3,11-diene?
The IUPAC name of (3Z,11E)-3,4-dibromo-1,6-dioxacyclotrideca-3,11-diene (CID 177492056) is (3Z,11E)-3,4-dibromo-1,6-dioxacyclotrideca-3,11-diene.
What is the SMILES notation for (3Z,11E)-3,4-dibromo-1,6-dioxacyclotrideca-3,11-diene?
The canonical SMILES for (3Z,11E)-3,4-dibromo-1,6-dioxacyclotrideca-3,11-diene is Br/C1=C(\Br)COCCCC/C=C/COC1.
What is the InChIKey of (3Z,11E)-3,4-dibromo-1,6-dioxacyclotrideca-3,11-diene?
The InChIKey is MJBPTUCKMWRGER-ZSLCMEJMSA-N. The full InChI is InChI=1S/C11H16Br2O2/c12-10-8-14-6-4-2-1-3-5-7-15-9-11(10)13/h2,4H,1,3,5-9H2/b4-2+,11-10-.
What are the key properties of (3Z,11E)-3,4-dibromo-1,6-dioxacyclotrideca-3,11-diene?
(3Z,11E)-3,4-dibromo-1,6-dioxacyclotrideca-3,11-diene has a molecular weight of 340.06 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,11E)-3,4-dibromo-1,6-dioxacyclotrideca-3,11-diene is sourced from PubChem (CID 177492056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).