(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane

C9H14O2 — CID 7098824

IUPAC(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane
SMILESC1C[C@H]2O[C@H]2CC[C@@H]2O[C@@H]2C1
InChIInChI=1S/C9H14O2/c1-2-6-8(10-6)4-5-9-7(3-1)11-9/h6-9H,1-5H2/t6-,7-,8+,9+/m1/s1
InChIKeyHLGDWSHQZUFCJF-HXFLIBJXSA-N
MW154.21 g/mol
LogP1.49
Rot. Bonds

About (1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane

(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane (PubChem CID 7098824) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane.

Molecular Properties

Compound Name(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane
PubChem CID7098824
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane
SMILESC1C[C@H]2O[C@H]2CC[C@@H]2O[C@@H]2C1
InChIInChI=1S/C9H14O2/c1-2-6-8(10-6)4-5-9-7(3-1)11-9/h6-9H,1-5H2/t6-,7-,8+,9+/m1/s1
InChIKeyHLGDWSHQZUFCJF-HXFLIBJXSA-N
XLogP1.49
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 3319750
(1S,6R)-7-oxabicyclo[4.1.0]heptane
CID 637978
(1S,4S)-5-oxabicyclo[2.1.0]pentane
CID 98125749
25-oxabicyclo[22.1.0]pentacosane
CID 156633217
(6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 122419523
7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 88907444
sodium;hydride;7-oxabicyclo[4.1.0]heptane
CID 173104764
ethane;7-oxabicyclo[4.1.0]heptane
CID 91307792
7-oxabicyclo[4.1.0]heptane;oxirane
CID 131984165
(16S)-17-oxabicyclo[14.1.0]heptadec-8-ene
CID 173496111
(8Z)-17-oxabicyclo[14.1.0]heptadec-8-ene
CID 19838536
1,4-dioxane;7-oxabicyclo[4.1.0]heptane
CID 174406152

Frequently Asked Questions

What is the IUPAC name of (1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane?
The IUPAC name of (1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane (CID 7098824) is (1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane.
What is the SMILES notation for (1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane?
The canonical SMILES for (1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane is C1C[C@H]2O[C@H]2CC[C@@H]2O[C@@H]2C1.
What is the InChIKey of (1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane?
The InChIKey is HLGDWSHQZUFCJF-HXFLIBJXSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-6-8(10-6)4-5-9-7(3-1)11-9/h6-9H,1-5H2/t6-,7-,8+,9+/m1/s1.
What are the key properties of (1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane?
(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane has a molecular weight of 154.21 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane is sourced from PubChem (CID 7098824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).