5-methoxy-2-propan-2-yl-3,6-dihydro-2H-pyran

C9H16O2 — CID 122629491

IUPAC5-methoxy-2-propan-2-yl-3,6-dihydro-2H-pyran
SMILESCOC1=CCC(C(C)C)OC1
InChIInChI=1S/C9H16O2/c1-7(2)9-5-4-8(10-3)6-11-9/h4,7,9H,5-6H2,1-3H3
InChIKeyGQYTUFHYVINUNF-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds2

About 5-methoxy-2-propan-2-yl-3,6-dihydro-2H-pyran

5-methoxy-2-propan-2-yl-3,6-dihydro-2H-pyran (PubChem CID 122629491) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 5-methoxy-2-propan-2-yl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name5-methoxy-2-propan-2-yl-3,6-dihydro-2H-pyran
PubChem CID122629491
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name5-methoxy-2-propan-2-yl-3,6-dihydro-2H-pyran
SMILESCOC1=CCC(C(C)C)OC1
InChIInChI=1S/C9H16O2/c1-7(2)9-5-4-8(10-3)6-11-9/h4,7,9H,5-6H2,1-3H3
InChIKeyGQYTUFHYVINUNF-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-propan-2-yl-3,6-dihydro-2H-pyran?
The IUPAC name of 5-methoxy-2-propan-2-yl-3,6-dihydro-2H-pyran (CID 122629491) is 5-methoxy-2-propan-2-yl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 5-methoxy-2-propan-2-yl-3,6-dihydro-2H-pyran?
The canonical SMILES for 5-methoxy-2-propan-2-yl-3,6-dihydro-2H-pyran is COC1=CCC(C(C)C)OC1.
What is the InChIKey of 5-methoxy-2-propan-2-yl-3,6-dihydro-2H-pyran?
The InChIKey is GQYTUFHYVINUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(2)9-5-4-8(10-3)6-11-9/h4,7,9H,5-6H2,1-3H3.
What are the key properties of 5-methoxy-2-propan-2-yl-3,6-dihydro-2H-pyran?
5-methoxy-2-propan-2-yl-3,6-dihydro-2H-pyran has a molecular weight of 156.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-propan-2-yl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 122629491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).