(1R,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-ene

C11H16O3 — CID 135017512

IUPAC(1R,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-ene
SMILESC1=COC2C[C@H]3OCCC[C@H]3OC2C1
InChIInChI=1S/C11H16O3/c1-3-8-10(12-5-1)7-11-9(14-8)4-2-6-13-11/h1,5,8-11H,2-4,6-7H2/t8?,9-,10?,11-/m1/s1
InChIKeyVTEMOKXKLRERDY-VGRIYTJTSA-N
MW196.25 g/mol
LogP1.63
Rot. Bonds

About (1R,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-ene

(1R,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-ene (PubChem CID 135017512) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (1R,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-ene.

Molecular Properties

Compound Name(1R,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-ene
PubChem CID135017512
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(1R,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-ene
SMILESC1=COC2C[C@H]3OCCC[C@H]3OC2C1
InChIInChI=1S/C11H16O3/c1-3-8-10(12-5-1)7-11-9(14-8)4-2-6-13-11/h1,5,8-11H,2-4,6-7H2/t8?,9-,10?,11-/m1/s1
InChIKeyVTEMOKXKLRERDY-VGRIYTJTSA-N
XLogP1.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-ene?
The IUPAC name of (1R,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-ene (CID 135017512) is (1R,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-ene.
What is the SMILES notation for (1R,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-ene?
The canonical SMILES for (1R,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-ene is C1=COC2C[C@H]3OCCC[C@H]3OC2C1.
What is the InChIKey of (1R,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-ene?
The InChIKey is VTEMOKXKLRERDY-VGRIYTJTSA-N. The full InChI is InChI=1S/C11H16O3/c1-3-8-10(12-5-1)7-11-9(14-8)4-2-6-13-11/h1,5,8-11H,2-4,6-7H2/t8?,9-,10?,11-/m1/s1.
What are the key properties of (1R,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-ene?
(1R,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-ene has a molecular weight of 196.25 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-ene is sourced from PubChem (CID 135017512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).