6-methoxy-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran

C10H18O3 — CID 100931835

IUPAC6-methoxy-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran
SMILESCOC1=CC(OC(C)(C)C)CCO1
InChIInChI=1S/C10H18O3/c1-10(2,3)13-8-5-6-12-9(7-8)11-4/h7-8H,5-6H2,1-4H3
InChIKeyCSTHJDJQAZGCCV-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.08
Rot. Bonds2

About 6-methoxy-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran

6-methoxy-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran (PubChem CID 100931835) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 6-methoxy-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-methoxy-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran
PubChem CID100931835
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name6-methoxy-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran
SMILESCOC1=CC(OC(C)(C)C)CCO1
InChIInChI=1S/C10H18O3/c1-10(2,3)13-8-5-6-12-9(7-8)11-4/h7-8H,5-6H2,1-4H3
InChIKeyCSTHJDJQAZGCCV-UHFFFAOYSA-N
XLogP2.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran?
The IUPAC name of 6-methoxy-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran (CID 100931835) is 6-methoxy-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-methoxy-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-methoxy-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran is COC1=CC(OC(C)(C)C)CCO1.
What is the InChIKey of 6-methoxy-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran?
The InChIKey is CSTHJDJQAZGCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-10(2,3)13-8-5-6-12-9(7-8)11-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 6-methoxy-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran?
6-methoxy-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran has a molecular weight of 186.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 100931835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).