(3Z,7Z)-12-oxabicyclo[9.1.0]dodeca-3,7-diene

C11H16O — CID 118325754

IUPAC(3Z,7Z)-12-oxabicyclo[9.1.0]dodeca-3,7-diene
SMILESC1=C\CCC2OC2C/C=C\CC/1
InChIInChI=1S/C11H16O/c1-2-4-6-8-10-11(12-10)9-7-5-3-1/h2,4-5,7,10-11H,1,3,6,8-9H2/b4-2-,7-5-
InChIKeyUXIDQHJXTXQPNK-ILNZVKDWSA-N
MW164.25 g/mol
LogP2.83
Rot. Bonds

About (3Z,7Z)-12-oxabicyclo[9.1.0]dodeca-3,7-diene

(3Z,7Z)-12-oxabicyclo[9.1.0]dodeca-3,7-diene (PubChem CID 118325754) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (3Z,7Z)-12-oxabicyclo[9.1.0]dodeca-3,7-diene.

Molecular Properties

Compound Name(3Z,7Z)-12-oxabicyclo[9.1.0]dodeca-3,7-diene
PubChem CID118325754
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(3Z,7Z)-12-oxabicyclo[9.1.0]dodeca-3,7-diene
SMILESC1=C\CCC2OC2C/C=C\CC/1
InChIInChI=1S/C11H16O/c1-2-4-6-8-10-11(12-10)9-7-5-3-1/h2,4-5,7,10-11H,1,3,6,8-9H2/b4-2-,7-5-
InChIKeyUXIDQHJXTXQPNK-ILNZVKDWSA-N
XLogP2.83
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-12-oxabicyclo[9.1.0]dodeca-3,7-diene?
The IUPAC name of (3Z,7Z)-12-oxabicyclo[9.1.0]dodeca-3,7-diene (CID 118325754) is (3Z,7Z)-12-oxabicyclo[9.1.0]dodeca-3,7-diene.
What is the SMILES notation for (3Z,7Z)-12-oxabicyclo[9.1.0]dodeca-3,7-diene?
The canonical SMILES for (3Z,7Z)-12-oxabicyclo[9.1.0]dodeca-3,7-diene is C1=C\CCC2OC2C/C=C\CC/1.
What is the InChIKey of (3Z,7Z)-12-oxabicyclo[9.1.0]dodeca-3,7-diene?
The InChIKey is UXIDQHJXTXQPNK-ILNZVKDWSA-N. The full InChI is InChI=1S/C11H16O/c1-2-4-6-8-10-11(12-10)9-7-5-3-1/h2,4-5,7,10-11H,1,3,6,8-9H2/b4-2-,7-5-.
What are the key properties of (3Z,7Z)-12-oxabicyclo[9.1.0]dodeca-3,7-diene?
(3Z,7Z)-12-oxabicyclo[9.1.0]dodeca-3,7-diene has a molecular weight of 164.25 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-12-oxabicyclo[9.1.0]dodeca-3,7-diene is sourced from PubChem (CID 118325754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).