1-ethenyl-13-oxabicyclo[10.1.0]tridecane

C14H24O — CID 5073938

IUPAC1-ethenyl-13-oxabicyclo[10.1.0]tridecane
SMILESC=CC12CCCCCCCCCCC1O2
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
InChIKeyGKPLONGGOJXWJN-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.22
Rot. Bonds1

About 1-ethenyl-13-oxabicyclo[10.1.0]tridecane

1-ethenyl-13-oxabicyclo[10.1.0]tridecane (PubChem CID 5073938) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-ethenyl-13-oxabicyclo[10.1.0]tridecane.

Molecular Properties

Compound Name1-ethenyl-13-oxabicyclo[10.1.0]tridecane
PubChem CID5073938
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-ethenyl-13-oxabicyclo[10.1.0]tridecane
SMILESC=CC12CCCCCCCCCCC1O2
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
InChIKeyGKPLONGGOJXWJN-UHFFFAOYSA-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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Related Compounds

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CID 57702305
(1R,8R)-1-ethenyl-9-oxabicyclo[6.1.0]nonane
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2-Ethenyl-1-oxaspiro[2.5]octane
CID 11062454
(2R,3S)-2-cyclohexyl-3-ethenyloxirane
CID 11062567
1-Prop-2-enoxy-1-prop-2-enylcycloheptane
CID 11116927
2-Ethenyl-2-nonyloxirane
CID 11148283
2,2-Dibutyl-3-ethenyl-3-methyloxirane
CID 12508174
2-Cyclohexyl-3-ethenyloxirane
CID 12669133
(2R,3R)-2-cyclohexyl-3-ethenyloxirane
CID 12669134
2-Ethenyl-1-oxaspiro[2.4]heptane
CID 13010050
2-Ethenyl-2-hexyloxetane
CID 102530736
Amylvinyl-n-propylather
CID 129649311

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-13-oxabicyclo[10.1.0]tridecane?
The IUPAC name of 1-ethenyl-13-oxabicyclo[10.1.0]tridecane (CID 5073938) is 1-ethenyl-13-oxabicyclo[10.1.0]tridecane.
What is the SMILES notation for 1-ethenyl-13-oxabicyclo[10.1.0]tridecane?
The canonical SMILES for 1-ethenyl-13-oxabicyclo[10.1.0]tridecane is C=CC12CCCCCCCCCCC1O2.
What is the InChIKey of 1-ethenyl-13-oxabicyclo[10.1.0]tridecane?
The InChIKey is GKPLONGGOJXWJN-UHFFFAOYSA-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.
What are the key properties of 1-ethenyl-13-oxabicyclo[10.1.0]tridecane?
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 1-ethenyl-13-oxabicyclo[10.1.0]tridecane is sourced from PubChem (CID 5073938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).