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

C14H24O — CID 11287251

IUPAC(1R,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-KBPBESRZSA-N
MW208.34 g/mol
LogP4.22
Rot. Bonds1

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

(1R,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane (PubChem CID 11287251) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (1R,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane.

Molecular Properties

Compound Name(1R,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane
PubChem CID11287251
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(1R,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-KBPBESRZSA-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'}

Analyze (1R,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Vinyl-13-oxabicyclo[10.1.0]tridecane
CID 5073938
2-Ethenyl-2-hexyloxirane
CID 57702305
(1R,8R)-1-ethenyl-9-oxabicyclo[6.1.0]nonane
CID 58281646
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

Frequently Asked Questions

What is the IUPAC name of (1R,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane?
The IUPAC name of (1R,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane (CID 11287251) is (1R,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane.
What is the SMILES notation for (1R,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane?
The canonical SMILES for (1R,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane is C=C[C@]12CCCCCCCCCC[C@@H]1O2.
What is the InChIKey of (1R,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane?
The InChIKey is GKPLONGGOJXWJN-KBPBESRZSA-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 (1R,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane?
(1R,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 (1R,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane is sourced from PubChem (CID 11287251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).