(1E,8E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene

C12H16O2 — CID 139250131

IUPAC(1E,8E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene
SMILESC1=C2/COCC2C/C=C2/COCC2C/1
InChIInChI=1S/C12H16O2/c1-2-10-6-14-8-12(10)4-3-11-7-13-5-9(1)11/h1,4,10-11H,2-3,5-8H2/b9-1-,12-4-
InChIKeyAQGCNYXWRHGMAF-XJGKRTTDSA-N
MW192.26 g/mol
LogP1.93
Rot. Bonds

About (1E,8E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene

(1E,8E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene (PubChem CID 139250131) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (1E,8E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene.

Molecular Properties

Compound Name(1E,8E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene
PubChem CID139250131
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(1E,8E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene
SMILESC1=C2/COCC2C/C=C2/COCC2C/1
InChIInChI=1S/C12H16O2/c1-2-10-6-14-8-12(10)4-3-11-7-13-5-9(1)11/h1,4,10-11H,2-3,5-8H2/b9-1-,12-4-
InChIKeyAQGCNYXWRHGMAF-XJGKRTTDSA-N
XLogP1.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.93
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

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(1E,8E)-2,9-dimethyl-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene
CID 139250132
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Frequently Asked Questions

What is the IUPAC name of (1E,8E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene?
The IUPAC name of (1E,8E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene (CID 139250131) is (1E,8E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene.
What is the SMILES notation for (1E,8E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene?
The canonical SMILES for (1E,8E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene is C1=C2/COCC2C/C=C2/COCC2C/1.
What is the InChIKey of (1E,8E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene?
The InChIKey is AQGCNYXWRHGMAF-XJGKRTTDSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-10-6-14-8-12(10)4-3-11-7-13-5-9(1)11/h1,4,10-11H,2-3,5-8H2/b9-1-,12-4-.
What are the key properties of (1E,8E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene?
(1E,8E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene has a molecular weight of 192.26 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,8E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene is sourced from PubChem (CID 139250131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).