(2Z,4Z)-13-oxabicyclo[10.1.0]trideca-2,4-diene

C12H18O — CID 21249473

IUPAC(2Z,4Z)-13-oxabicyclo[10.1.0]trideca-2,4-diene
SMILESC1=C\CCCCCCC2OC2\C=C/1
InChIInChI=1S/C12H18O/c1-2-4-6-8-10-12-11(13-12)9-7-5-3-1/h3,5,7,9,11-12H,1-2,4,6,8,10H2/b5-3-,9-7-
InChIKeyDUJVGZVFHWDDBS-XORISBCWSA-N
MW178.28 g/mol
LogP3.22
Rot. Bonds

About (2Z,4Z)-13-oxabicyclo[10.1.0]trideca-2,4-diene

(2Z,4Z)-13-oxabicyclo[10.1.0]trideca-2,4-diene (PubChem CID 21249473) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is (2Z,4Z)-13-oxabicyclo[10.1.0]trideca-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-13-oxabicyclo[10.1.0]trideca-2,4-diene
PubChem CID21249473
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name(2Z,4Z)-13-oxabicyclo[10.1.0]trideca-2,4-diene
SMILESC1=C\CCCCCCC2OC2\C=C/1
InChIInChI=1S/C12H18O/c1-2-4-6-8-10-12-11(13-12)9-7-5-3-1/h3,5,7,9,11-12H,1-2,4,6,8,10H2/b5-3-,9-7-
InChIKeyDUJVGZVFHWDDBS-XORISBCWSA-N
XLogP3.22
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 19838536
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CID 173496111
(1Z)-cyclononacosa-1,3-diene
CID 162365218
(1E,3E)-cycloundeca-1,3-diene
CID 12636669
(3Z)-cyclodocosa-1,3-diene
CID 173020815
(1Z,3Z)-cyclotricosa-1,3-diene
CID 162365220
cyclooctadeca-1,3-diene
CID 54378792
(1Z)-cyclononadeca-1,3-diene
CID 173020870
ethane;(1Z,3Z)-5-methylcyclonona-1,3-diene
CID 143054449
5,6-dibromocyclododeca-1,3-diene
CID 67848452
(3Z,5E,7E,9E,11Z,13E)-cyclodocosa-1,3,5,7,9,11,13-heptaene
CID 173020863
(1Z,3Z)-cyclopentacosa-1,3,5-triene
CID 173020832

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-13-oxabicyclo[10.1.0]trideca-2,4-diene?
The IUPAC name of (2Z,4Z)-13-oxabicyclo[10.1.0]trideca-2,4-diene (CID 21249473) is (2Z,4Z)-13-oxabicyclo[10.1.0]trideca-2,4-diene.
What is the SMILES notation for (2Z,4Z)-13-oxabicyclo[10.1.0]trideca-2,4-diene?
The canonical SMILES for (2Z,4Z)-13-oxabicyclo[10.1.0]trideca-2,4-diene is C1=C\CCCCCCC2OC2\C=C/1.
What is the InChIKey of (2Z,4Z)-13-oxabicyclo[10.1.0]trideca-2,4-diene?
The InChIKey is DUJVGZVFHWDDBS-XORISBCWSA-N. The full InChI is InChI=1S/C12H18O/c1-2-4-6-8-10-12-11(13-12)9-7-5-3-1/h3,5,7,9,11-12H,1-2,4,6,8,10H2/b5-3-,9-7-.
What are the key properties of (2Z,4Z)-13-oxabicyclo[10.1.0]trideca-2,4-diene?
(2Z,4Z)-13-oxabicyclo[10.1.0]trideca-2,4-diene has a molecular weight of 178.28 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-13-oxabicyclo[10.1.0]trideca-2,4-diene is sourced from PubChem (CID 21249473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).