3-methoxy-2-(2-methylpropyl)-2H-pyran

C10H16O2 — CID 90032708

IUPAC3-methoxy-2-(2-methylpropyl)-2H-pyran
SMILESCOC1=CC=COC1CC(C)C
InChIInChI=1S/C10H16O2/c1-8(2)7-10-9(11-3)5-4-6-12-10/h4-6,8,10H,7H2,1-3H3
InChIKeyZLYWWSCOUGOJAB-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.48
Rot. Bonds3

About 3-methoxy-2-(2-methylpropyl)-2H-pyran

3-methoxy-2-(2-methylpropyl)-2H-pyran (PubChem CID 90032708) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-methoxy-2-(2-methylpropyl)-2H-pyran.

Molecular Properties

Compound Name3-methoxy-2-(2-methylpropyl)-2H-pyran
PubChem CID90032708
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-methoxy-2-(2-methylpropyl)-2H-pyran
SMILESCOC1=CC=COC1CC(C)C
InChIInChI=1S/C10H16O2/c1-8(2)7-10-9(11-3)5-4-6-12-10/h4-6,8,10H,7H2,1-3H3
InChIKeyZLYWWSCOUGOJAB-UHFFFAOYSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-methylpropyl)-2H-pyran?
The IUPAC name of 3-methoxy-2-(2-methylpropyl)-2H-pyran (CID 90032708) is 3-methoxy-2-(2-methylpropyl)-2H-pyran.
What is the SMILES notation for 3-methoxy-2-(2-methylpropyl)-2H-pyran?
The canonical SMILES for 3-methoxy-2-(2-methylpropyl)-2H-pyran is COC1=CC=COC1CC(C)C.
What is the InChIKey of 3-methoxy-2-(2-methylpropyl)-2H-pyran?
The InChIKey is ZLYWWSCOUGOJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(2)7-10-9(11-3)5-4-6-12-10/h4-6,8,10H,7H2,1-3H3.
What are the key properties of 3-methoxy-2-(2-methylpropyl)-2H-pyran?
3-methoxy-2-(2-methylpropyl)-2H-pyran has a molecular weight of 168.24 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-methylpropyl)-2H-pyran is sourced from PubChem (CID 90032708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).