2,3-di(propan-2-yloxy)-2H-pyran

C11H18O3 — CID 67849419

IUPAC2,3-di(propan-2-yloxy)-2H-pyran
SMILESCC(C)OC1=CC=COC1OC(C)C
InChIInChI=1S/C11H18O3/c1-8(2)13-10-6-5-7-12-11(10)14-9(3)4/h5-9,11H,1-4H3
InChIKeyCJMYHXRFYNXLBZ-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.59
Rot. Bonds4

About 2,3-di(propan-2-yloxy)-2H-pyran

2,3-di(propan-2-yloxy)-2H-pyran (PubChem CID 67849419) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2,3-di(propan-2-yloxy)-2H-pyran.

Molecular Properties

Compound Name2,3-di(propan-2-yloxy)-2H-pyran
PubChem CID67849419
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2,3-di(propan-2-yloxy)-2H-pyran
SMILESCC(C)OC1=CC=COC1OC(C)C
InChIInChI=1S/C11H18O3/c1-8(2)13-10-6-5-7-12-11(10)14-9(3)4/h5-9,11H,1-4H3
InChIKeyCJMYHXRFYNXLBZ-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

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yloxy)-2H-pyran?
The IUPAC name of 2,3-di(propan-2-yloxy)-2H-pyran (CID 67849419) is 2,3-di(propan-2-yloxy)-2H-pyran.
What is the SMILES notation for 2,3-di(propan-2-yloxy)-2H-pyran?
The canonical SMILES for 2,3-di(propan-2-yloxy)-2H-pyran is CC(C)OC1=CC=COC1OC(C)C.
What is the InChIKey of 2,3-di(propan-2-yloxy)-2H-pyran?
The InChIKey is CJMYHXRFYNXLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-8(2)13-10-6-5-7-12-11(10)14-9(3)4/h5-9,11H,1-4H3.
What are the key properties of 2,3-di(propan-2-yloxy)-2H-pyran?
2,3-di(propan-2-yloxy)-2H-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 2,3-di(propan-2-yloxy)-2H-pyran is sourced from PubChem (CID 67849419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).