(1S,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane

C14H24O — CID 12073526

IUPAC(1S,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane
SMILESC=C[C@@]12CCCCCCCCCC[C@@H]1O2
InChIInChI=1S/C14H24O/c1-2-14-12-10-8-6-4-3-5-7-9-11-13(14)15-14/h2,13H,1,3-12H2/t13-,14+/m0/s1
InChIKeyGKPLONGGOJXWJN-UONOGXRCSA-N
MW208.34 g/mol
LogP4.22
Rot. Bonds1

About (1S,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane

(1S,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane (PubChem CID 12073526) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (1S,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane.

Molecular Properties

Compound Name(1S,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane
PubChem CID12073526
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(1S,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane
SMILESC=C[C@@]12CCCCCCCCCC[C@@H]1O2
InChIInChI=1S/C14H24O/c1-2-14-12-10-8-6-4-3-5-7-9-11-13(14)15-14/h2,13H,1,3-12H2/t13-,14+/m0/s1
InChIKeyGKPLONGGOJXWJN-UONOGXRCSA-N
XLogP4.22
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.22
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 (1S,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane?
The IUPAC name of (1S,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane (CID 12073526) is (1S,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane.
What is the SMILES notation for (1S,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane?
The canonical SMILES for (1S,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane is C=C[C@@]12CCCCCCCCCC[C@@H]1O2.
What is the InChIKey of (1S,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane?
The InChIKey is GKPLONGGOJXWJN-UONOGXRCSA-N. The full InChI is InChI=1S/C14H24O/c1-2-14-12-10-8-6-4-3-5-7-9-11-13(14)15-14/h2,13H,1,3-12H2/t13-,14+/m0/s1.
What are the key properties of (1S,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane?
(1S,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane has a molecular weight of 208.34 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane is sourced from PubChem (CID 12073526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).