(2Z)-13-oxabicyclo[10.1.0]trideca-1(12),2-diene

C12H18O — CID 22564348

IUPAC(2Z)-13-oxabicyclo[10.1.0]trideca-1(12),2-diene
SMILESC1=C\C2=C(CCCCCCCC/1)O2
InChIInChI=1S/C12H18O/c1-2-4-6-8-10-12-11(13-12)9-7-5-3-1/h7,9H,1-6,8,10H2/b9-7-
InChIKeyUGUXLOGSIIMVAC-CLFYSBASSA-N
MW178.28 g/mol
LogP3.92
Rot. Bonds

About (2Z)-13-oxabicyclo[10.1.0]trideca-1(12),2-diene

(2Z)-13-oxabicyclo[10.1.0]trideca-1(12),2-diene (PubChem CID 22564348) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is (2Z)-13-oxabicyclo[10.1.0]trideca-1(12),2-diene.

Molecular Properties

Compound Name(2Z)-13-oxabicyclo[10.1.0]trideca-1(12),2-diene
PubChem CID22564348
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name(2Z)-13-oxabicyclo[10.1.0]trideca-1(12),2-diene
SMILESC1=C\C2=C(CCCCCCCC/1)O2
InChIInChI=1S/C12H18O/c1-2-4-6-8-10-12-11(13-12)9-7-5-3-1/h7,9H,1-6,8,10H2/b9-7-
InChIKeyUGUXLOGSIIMVAC-CLFYSBASSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z)-13-oxabicyclo[10.1.0]trideca-1(12),2-diene?
The IUPAC name of (2Z)-13-oxabicyclo[10.1.0]trideca-1(12),2-diene (CID 22564348) is (2Z)-13-oxabicyclo[10.1.0]trideca-1(12),2-diene.
What is the SMILES notation for (2Z)-13-oxabicyclo[10.1.0]trideca-1(12),2-diene?
The canonical SMILES for (2Z)-13-oxabicyclo[10.1.0]trideca-1(12),2-diene is C1=C\C2=C(CCCCCCCC/1)O2.
What is the InChIKey of (2Z)-13-oxabicyclo[10.1.0]trideca-1(12),2-diene?
The InChIKey is UGUXLOGSIIMVAC-CLFYSBASSA-N. The full InChI is InChI=1S/C12H18O/c1-2-4-6-8-10-12-11(13-12)9-7-5-3-1/h7,9H,1-6,8,10H2/b9-7-.
What are the key properties of (2Z)-13-oxabicyclo[10.1.0]trideca-1(12),2-diene?
(2Z)-13-oxabicyclo[10.1.0]trideca-1(12),2-diene has a molecular weight of 178.28 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-13-oxabicyclo[10.1.0]trideca-1(12),2-diene is sourced from PubChem (CID 22564348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).