(5S,11S)-5,11-diethyl-1,7-dioxaspiro[5.5]undecane

C13H24O2 — CID 15722715

IUPAC(5S,11S)-5,11-diethyl-1,7-dioxaspiro[5.5]undecane
SMILESCC[C@H]1CCCOC12OCCC[C@@H]2CC
InChIInChI=1S/C13H24O2/c1-3-11-7-5-9-14-13(11)12(4-2)8-6-10-15-13/h11-12H,3-10H2,1-2H3/t11-,12-,13?/m0/s1
InChIKeyJFBBVCSZZYSHFD-VYAYZGMFSA-N
MW212.33 g/mol
LogP3.36
Rot. Bonds2

About (5S,11S)-5,11-diethyl-1,7-dioxaspiro[5.5]undecane

(5S,11S)-5,11-diethyl-1,7-dioxaspiro[5.5]undecane (PubChem CID 15722715) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (5S,11S)-5,11-diethyl-1,7-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name(5S,11S)-5,11-diethyl-1,7-dioxaspiro[5.5]undecane
PubChem CID15722715
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(5S,11S)-5,11-diethyl-1,7-dioxaspiro[5.5]undecane
SMILESCC[C@H]1CCCOC12OCCC[C@@H]2CC
InChIInChI=1S/C13H24O2/c1-3-11-7-5-9-14-13(11)12(4-2)8-6-10-15-13/h11-12H,3-10H2,1-2H3/t11-,12-,13?/m0/s1
InChIKeyJFBBVCSZZYSHFD-VYAYZGMFSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,11S)-5,11-diethyl-1,7-dioxaspiro[5.5]undecane?
The IUPAC name of (5S,11S)-5,11-diethyl-1,7-dioxaspiro[5.5]undecane (CID 15722715) is (5S,11S)-5,11-diethyl-1,7-dioxaspiro[5.5]undecane.
What is the SMILES notation for (5S,11S)-5,11-diethyl-1,7-dioxaspiro[5.5]undecane?
The canonical SMILES for (5S,11S)-5,11-diethyl-1,7-dioxaspiro[5.5]undecane is CC[C@H]1CCCOC12OCCC[C@@H]2CC.
What is the InChIKey of (5S,11S)-5,11-diethyl-1,7-dioxaspiro[5.5]undecane?
The InChIKey is JFBBVCSZZYSHFD-VYAYZGMFSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-11-7-5-9-14-13(11)12(4-2)8-6-10-15-13/h11-12H,3-10H2,1-2H3/t11-,12-,13?/m0/s1.
What are the key properties of (5S,11S)-5,11-diethyl-1,7-dioxaspiro[5.5]undecane?
(5S,11S)-5,11-diethyl-1,7-dioxaspiro[5.5]undecane has a molecular weight of 212.33 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,11S)-5,11-diethyl-1,7-dioxaspiro[5.5]undecane is sourced from PubChem (CID 15722715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).