(5R,6S)-5-ethyl-1,7-dioxaspiro[5.5]undecane

C11H20O2 — CID 134986769

IUPAC(5R,6S)-5-ethyl-1,7-dioxaspiro[5.5]undecane
SMILESCC[C@@H]1CCCO[C@@]12CCCCO2
InChIInChI=1S/C11H20O2/c1-2-10-6-5-9-13-11(10)7-3-4-8-12-11/h10H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyZMEWBWKACBIYDA-MNOVXSKESA-N
MW184.28 g/mol
LogP2.72
Rot. Bonds1

About (5R,6S)-5-ethyl-1,7-dioxaspiro[5.5]undecane

(5R,6S)-5-ethyl-1,7-dioxaspiro[5.5]undecane (PubChem CID 134986769) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (5R,6S)-5-ethyl-1,7-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name(5R,6S)-5-ethyl-1,7-dioxaspiro[5.5]undecane
PubChem CID134986769
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(5R,6S)-5-ethyl-1,7-dioxaspiro[5.5]undecane
SMILESCC[C@@H]1CCCO[C@@]12CCCCO2
InChIInChI=1S/C11H20O2/c1-2-10-6-5-9-13-11(10)7-3-4-8-12-11/h10H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyZMEWBWKACBIYDA-MNOVXSKESA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5R,6S)-5-ethyl-1,7-dioxaspiro[5.5]undecane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-ethyl-1,7-dioxaspiro[5.5]undecane?
The IUPAC name of (5R,6S)-5-ethyl-1,7-dioxaspiro[5.5]undecane (CID 134986769) is (5R,6S)-5-ethyl-1,7-dioxaspiro[5.5]undecane.
What is the SMILES notation for (5R,6S)-5-ethyl-1,7-dioxaspiro[5.5]undecane?
The canonical SMILES for (5R,6S)-5-ethyl-1,7-dioxaspiro[5.5]undecane is CC[C@@H]1CCCO[C@@]12CCCCO2.
What is the InChIKey of (5R,6S)-5-ethyl-1,7-dioxaspiro[5.5]undecane?
The InChIKey is ZMEWBWKACBIYDA-MNOVXSKESA-N. The full InChI is InChI=1S/C11H20O2/c1-2-10-6-5-9-13-11(10)7-3-4-8-12-11/h10H,2-9H2,1H3/t10-,11+/m1/s1.
What are the key properties of (5R,6S)-5-ethyl-1,7-dioxaspiro[5.5]undecane?
(5R,6S)-5-ethyl-1,7-dioxaspiro[5.5]undecane has a molecular weight of 184.28 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-ethyl-1,7-dioxaspiro[5.5]undecane is sourced from PubChem (CID 134986769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).