4,4-di(propan-2-yl)oxane;4,4-di(propan-2-yl)piperidine

C22H45NO — CID 158240210

IUPAC4,4-di(propan-2-yl)oxane;4,4-di(propan-2-yl)piperidine
SMILESCC(C)C1(C(C)C)CCNCC1.CC(C)C1(C(C)C)CCOCC1
InChIInChI=1S/C11H23N.C11H22O/c2*1-9(2)11(10(3)4)5-7-12-8-6-11/h9-10,12H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyGFLJSTIDHBHLSJ-UHFFFAOYSA-N
MW339.61 g/mol
LogP5.76
Rot. Bonds4

About 4,4-di(propan-2-yl)oxane;4,4-di(propan-2-yl)piperidine

4,4-di(propan-2-yl)oxane;4,4-di(propan-2-yl)piperidine (PubChem CID 158240210) has the molecular formula C22H45NO and a molecular weight of 339.61 g/mol. Its IUPAC name is 4,4-di(propan-2-yl)oxane;4,4-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name4,4-di(propan-2-yl)oxane;4,4-di(propan-2-yl)piperidine
PubChem CID158240210
Molecular FormulaC22H45NO
Molecular Weight339.61 g/mol
Exact Mass339.35
IUPAC Name4,4-di(propan-2-yl)oxane;4,4-di(propan-2-yl)piperidine
SMILESCC(C)C1(C(C)C)CCNCC1.CC(C)C1(C(C)C)CCOCC1
InChIInChI=1S/C11H23N.C11H22O/c2*1-9(2)11(10(3)4)5-7-12-8-6-11/h9-10,12H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyGFLJSTIDHBHLSJ-UHFFFAOYSA-N
XLogP5.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4-di(propan-2-yl)oxane;4,4-di(propan-2-yl)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 4,4-di(propan-2-yl)oxane;4,4-di(propan-2-yl)piperidine?
The IUPAC name of 4,4-di(propan-2-yl)oxane;4,4-di(propan-2-yl)piperidine (CID 158240210) is 4,4-di(propan-2-yl)oxane;4,4-di(propan-2-yl)piperidine.
What is the SMILES notation for 4,4-di(propan-2-yl)oxane;4,4-di(propan-2-yl)piperidine?
The canonical SMILES for 4,4-di(propan-2-yl)oxane;4,4-di(propan-2-yl)piperidine is CC(C)C1(C(C)C)CCNCC1.CC(C)C1(C(C)C)CCOCC1.
What is the InChIKey of 4,4-di(propan-2-yl)oxane;4,4-di(propan-2-yl)piperidine?
The InChIKey is GFLJSTIDHBHLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C11H22O/c2*1-9(2)11(10(3)4)5-7-12-8-6-11/h9-10,12H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3.
What are the key properties of 4,4-di(propan-2-yl)oxane;4,4-di(propan-2-yl)piperidine?
4,4-di(propan-2-yl)oxane;4,4-di(propan-2-yl)piperidine has a molecular weight of 339.61 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-di(propan-2-yl)oxane;4,4-di(propan-2-yl)piperidine is sourced from PubChem (CID 158240210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).