(11R)-3,3,10,11-tetramethyl-1,5-dioxaspiro[5.5]undec-9-ene

C13H22O2 — CID 14216775

IUPAC(11R)-3,3,10,11-tetramethyl-1,5-dioxaspiro[5.5]undec-9-ene
SMILESCC1=CCCC2(OCC(C)(C)CO2)[C@@H]1C
InChIInChI=1S/C13H22O2/c1-10-6-5-7-13(11(10)2)14-8-12(3,4)9-15-13/h6,11H,5,7-9H2,1-4H3/t11-/m1/s1
InChIKeyJXNANABOCUJRKB-LLVKDONJSA-N
MW210.32 g/mol
LogP3.13
Rot. Bonds

About (11R)-3,3,10,11-tetramethyl-1,5-dioxaspiro[5.5]undec-9-ene

(11R)-3,3,10,11-tetramethyl-1,5-dioxaspiro[5.5]undec-9-ene (PubChem CID 14216775) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (11R)-3,3,10,11-tetramethyl-1,5-dioxaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name(11R)-3,3,10,11-tetramethyl-1,5-dioxaspiro[5.5]undec-9-ene
PubChem CID14216775
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(11R)-3,3,10,11-tetramethyl-1,5-dioxaspiro[5.5]undec-9-ene
SMILESCC1=CCCC2(OCC(C)(C)CO2)[C@@H]1C
InChIInChI=1S/C13H22O2/c1-10-6-5-7-13(11(10)2)14-8-12(3,4)9-15-13/h6,11H,5,7-9H2,1-4H3/t11-/m1/s1
InChIKeyJXNANABOCUJRKB-LLVKDONJSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (11R)-3,3,10,11-tetramethyl-1,5-dioxaspiro[5.5]undec-9-ene 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 (11R)-3,3,10,11-tetramethyl-1,5-dioxaspiro[5.5]undec-9-ene?
The IUPAC name of (11R)-3,3,10,11-tetramethyl-1,5-dioxaspiro[5.5]undec-9-ene (CID 14216775) is (11R)-3,3,10,11-tetramethyl-1,5-dioxaspiro[5.5]undec-9-ene.
What is the SMILES notation for (11R)-3,3,10,11-tetramethyl-1,5-dioxaspiro[5.5]undec-9-ene?
The canonical SMILES for (11R)-3,3,10,11-tetramethyl-1,5-dioxaspiro[5.5]undec-9-ene is CC1=CCCC2(OCC(C)(C)CO2)[C@@H]1C.
What is the InChIKey of (11R)-3,3,10,11-tetramethyl-1,5-dioxaspiro[5.5]undec-9-ene?
The InChIKey is JXNANABOCUJRKB-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22O2/c1-10-6-5-7-13(11(10)2)14-8-12(3,4)9-15-13/h6,11H,5,7-9H2,1-4H3/t11-/m1/s1.
What are the key properties of (11R)-3,3,10,11-tetramethyl-1,5-dioxaspiro[5.5]undec-9-ene?
(11R)-3,3,10,11-tetramethyl-1,5-dioxaspiro[5.5]undec-9-ene has a molecular weight of 210.32 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-3,3,10,11-tetramethyl-1,5-dioxaspiro[5.5]undec-9-ene is sourced from PubChem (CID 14216775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).