2,2-di(propan-2-yloxy)pyran

C11H18O3 — CID 67849418

IUPAC2,2-di(propan-2-yloxy)pyran
SMILESCC(C)OC1(OC(C)C)C=CC=CO1
InChIInChI=1S/C11H18O3/c1-9(2)13-11(14-10(3)4)7-5-6-8-12-11/h5-10H,1-4H3
InChIKeyQDFCAWGENLMURU-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.59
Rot. Bonds4

About 2,2-di(propan-2-yloxy)pyran

2,2-di(propan-2-yloxy)pyran (PubChem CID 67849418) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2,2-di(propan-2-yloxy)pyran.

Molecular Properties

Compound Name2,2-di(propan-2-yloxy)pyran
PubChem CID67849418
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2,2-di(propan-2-yloxy)pyran
SMILESCC(C)OC1(OC(C)C)C=CC=CO1
InChIInChI=1S/C11H18O3/c1-9(2)13-11(14-10(3)4)7-5-6-8-12-11/h5-10H,1-4H3
InChIKeyQDFCAWGENLMURU-UHFFFAOYSA-N
XLogP2.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-di(propan-2-yloxy)pyran?
The IUPAC name of 2,2-di(propan-2-yloxy)pyran (CID 67849418) is 2,2-di(propan-2-yloxy)pyran.
What is the SMILES notation for 2,2-di(propan-2-yloxy)pyran?
The canonical SMILES for 2,2-di(propan-2-yloxy)pyran is CC(C)OC1(OC(C)C)C=CC=CO1.
What is the InChIKey of 2,2-di(propan-2-yloxy)pyran?
The InChIKey is QDFCAWGENLMURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-9(2)13-11(14-10(3)4)7-5-6-8-12-11/h5-10H,1-4H3.
What are the key properties of 2,2-di(propan-2-yloxy)pyran?
2,2-di(propan-2-yloxy)pyran has a molecular weight of 198.26 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(propan-2-yloxy)pyran is sourced from PubChem (CID 67849418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).