2',2'-diethyl-1'-hydroxy-6',6'-dimethylspiro[3,5-dioxatricyclo[5.4.0.02,6]undecane-4,4'-piperidine]

C19H33NO3 — CID 69266599

IUPAC2',2'-diethyl-1'-hydroxy-6',6'-dimethylspiro[3,5-dioxatricyclo[5.4.0.02,6]undecane-4,4'-piperidine]
SMILESCCC1(CC)CC2(CC(C)(C)N1O)OC1C3CCCCC3C1O2
InChIInChI=1S/C19H33NO3/c1-5-18(6-2)12-19(11-17(3,4)20(18)21)22-15-13-9-7-8-10-14(13)16(15)23-19/h13-16,21H,5-12H2,1-4H3
InChIKeyQMYBJWIUPYWBKI-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.11
Rot. Bonds2

About 2',2'-diethyl-1'-hydroxy-6',6'-dimethylspiro[3,5-dioxatricyclo[5.4.0.02,6]undecane-4,4'-piperidine]

2',2'-diethyl-1'-hydroxy-6',6'-dimethylspiro[3,5-dioxatricyclo[5.4.0.02,6]undecane-4,4'-piperidine] (PubChem CID 69266599) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 2',2'-diethyl-1'-hydroxy-6',6'-dimethylspiro[3,5-dioxatricyclo[5.4.0.02,6]undecane-4,4'-piperidine].

Molecular Properties

Compound Name2',2'-diethyl-1'-hydroxy-6',6'-dimethylspiro[3,5-dioxatricyclo[5.4.0.02,6]undecane-4,4'-piperidine]
PubChem CID69266599
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Name2',2'-diethyl-1'-hydroxy-6',6'-dimethylspiro[3,5-dioxatricyclo[5.4.0.02,6]undecane-4,4'-piperidine]
SMILESCCC1(CC)CC2(CC(C)(C)N1O)OC1C3CCCCC3C1O2
InChIInChI=1S/C19H33NO3/c1-5-18(6-2)12-19(11-17(3,4)20(18)21)22-15-13-9-7-8-10-14(13)16(15)23-19/h13-16,21H,5-12H2,1-4H3
InChIKeyQMYBJWIUPYWBKI-UHFFFAOYSA-N
XLogP4.11
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2',2'-diethyl-1'-hydroxy-6',6'-dimethylspiro[3,5-dioxatricyclo[5.4.0.02,6]undecane-4,4'-piperidine] 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 2',2'-diethyl-1'-hydroxy-6',6'-dimethylspiro[3,5-dioxatricyclo[5.4.0.02,6]undecane-4,4'-piperidine]?
The IUPAC name of 2',2'-diethyl-1'-hydroxy-6',6'-dimethylspiro[3,5-dioxatricyclo[5.4.0.02,6]undecane-4,4'-piperidine] (CID 69266599) is 2',2'-diethyl-1'-hydroxy-6',6'-dimethylspiro[3,5-dioxatricyclo[5.4.0.02,6]undecane-4,4'-piperidine].
What is the SMILES notation for 2',2'-diethyl-1'-hydroxy-6',6'-dimethylspiro[3,5-dioxatricyclo[5.4.0.02,6]undecane-4,4'-piperidine]?
The canonical SMILES for 2',2'-diethyl-1'-hydroxy-6',6'-dimethylspiro[3,5-dioxatricyclo[5.4.0.02,6]undecane-4,4'-piperidine] is CCC1(CC)CC2(CC(C)(C)N1O)OC1C3CCCCC3C1O2.
What is the InChIKey of 2',2'-diethyl-1'-hydroxy-6',6'-dimethylspiro[3,5-dioxatricyclo[5.4.0.02,6]undecane-4,4'-piperidine]?
The InChIKey is QMYBJWIUPYWBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c1-5-18(6-2)12-19(11-17(3,4)20(18)21)22-15-13-9-7-8-10-14(13)16(15)23-19/h13-16,21H,5-12H2,1-4H3.
What are the key properties of 2',2'-diethyl-1'-hydroxy-6',6'-dimethylspiro[3,5-dioxatricyclo[5.4.0.02,6]undecane-4,4'-piperidine]?
2',2'-diethyl-1'-hydroxy-6',6'-dimethylspiro[3,5-dioxatricyclo[5.4.0.02,6]undecane-4,4'-piperidine] has a molecular weight of 323.48 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2',2'-diethyl-1'-hydroxy-6',6'-dimethylspiro[3,5-dioxatricyclo[5.4.0.02,6]undecane-4,4'-piperidine] is sourced from PubChem (CID 69266599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).