(1S,7S)-8,9,11,12-tetraoxabicyclo[5.4.1]dodecane

C8H14O4 — CID 10559135

IUPAC(1S,7S)-8,9,11,12-tetraoxabicyclo[5.4.1]dodecane
SMILESC1CC[C@@H]2OOCO[C@H](CC1)O2
InChIInChI=1S/C8H14O4/c1-2-4-7-9-6-10-12-8(11-7)5-3-1/h7-8H,1-6H2/t7-,8-/m0/s1
InChIKeyGAGLBLPMLLAYBD-YUMQZZPRSA-N
MW174.20 g/mol
LogP1.56
Rot. Bonds

About (1S,7S)-8,9,11,12-tetraoxabicyclo[5.4.1]dodecane

(1S,7S)-8,9,11,12-tetraoxabicyclo[5.4.1]dodecane (PubChem CID 10559135) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (1S,7S)-8,9,11,12-tetraoxabicyclo[5.4.1]dodecane.

Molecular Properties

Compound Name(1S,7S)-8,9,11,12-tetraoxabicyclo[5.4.1]dodecane
PubChem CID10559135
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(1S,7S)-8,9,11,12-tetraoxabicyclo[5.4.1]dodecane
SMILESC1CC[C@@H]2OOCO[C@H](CC1)O2
InChIInChI=1S/C8H14O4/c1-2-4-7-9-6-10-12-8(11-7)5-3-1/h7-8H,1-6H2/t7-,8-/m0/s1
InChIKeyGAGLBLPMLLAYBD-YUMQZZPRSA-N
XLogP1.56
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

8,9,10-trioxabicyclo[5.2.1]decane
CID 100928486
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
6,8-dioxabicyclo[3.2.1]octane;ethane
CID 156638289
10-oxabicyclo[5.2.1]decane
CID 118210101
(2S,3R)-2,3-dicyclohexyloxirane
CID 169013366
1-methyl-7,8,9-trioxabicyclo[4.2.1]nonane
CID 12820287
cycloundecane-1,2-diol
CID 67185134
trans-(1S,2S)-cyclooctane-1,2-diol
CID 7273013
2,5,7-trioxabicyclo[2.2.1]heptane
CID 146477270
cyclohexanol;cyclooctanol
CID 22461579

Frequently Asked Questions

What is the IUPAC name of (1S,7S)-8,9,11,12-tetraoxabicyclo[5.4.1]dodecane?
The IUPAC name of (1S,7S)-8,9,11,12-tetraoxabicyclo[5.4.1]dodecane (CID 10559135) is (1S,7S)-8,9,11,12-tetraoxabicyclo[5.4.1]dodecane.
What is the SMILES notation for (1S,7S)-8,9,11,12-tetraoxabicyclo[5.4.1]dodecane?
The canonical SMILES for (1S,7S)-8,9,11,12-tetraoxabicyclo[5.4.1]dodecane is C1CC[C@@H]2OOCO[C@H](CC1)O2.
What is the InChIKey of (1S,7S)-8,9,11,12-tetraoxabicyclo[5.4.1]dodecane?
The InChIKey is GAGLBLPMLLAYBD-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H14O4/c1-2-4-7-9-6-10-12-8(11-7)5-3-1/h7-8H,1-6H2/t7-,8-/m0/s1.
What are the key properties of (1S,7S)-8,9,11,12-tetraoxabicyclo[5.4.1]dodecane?
(1S,7S)-8,9,11,12-tetraoxabicyclo[5.4.1]dodecane has a molecular weight of 174.20 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7S)-8,9,11,12-tetraoxabicyclo[5.4.1]dodecane is sourced from PubChem (CID 10559135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).