6-(methoxymethyl)-3,4-dihydro-2H-pyran

C7H12O2 — CID 12072135

IUPAC6-(methoxymethyl)-3,4-dihydro-2H-pyran
SMILESCOCC1=CCCCO1
InChIInChI=1S/C7H12O2/c1-8-6-7-4-2-3-5-9-7/h4H,2-3,5-6H2,1H3
InChIKeyXRTZENQHHWBRAB-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.33
Rot. Bonds2

About 6-(methoxymethyl)-3,4-dihydro-2H-pyran

6-(methoxymethyl)-3,4-dihydro-2H-pyran (PubChem CID 12072135) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 6-(methoxymethyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-(methoxymethyl)-3,4-dihydro-2H-pyran
PubChem CID12072135
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name6-(methoxymethyl)-3,4-dihydro-2H-pyran
SMILESCOCC1=CCCCO1
InChIInChI=1S/C7H12O2/c1-8-6-7-4-2-3-5-9-7/h4H,2-3,5-6H2,1H3
InChIKeyXRTZENQHHWBRAB-UHFFFAOYSA-N
XLogP1.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 6-(methoxymethyl)-3,4-dihydro-2H-pyran (CID 12072135) is 6-(methoxymethyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-(methoxymethyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-(methoxymethyl)-3,4-dihydro-2H-pyran is COCC1=CCCCO1.
What is the InChIKey of 6-(methoxymethyl)-3,4-dihydro-2H-pyran?
The InChIKey is XRTZENQHHWBRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-8-6-7-4-2-3-5-9-7/h4H,2-3,5-6H2,1H3.
What are the key properties of 6-(methoxymethyl)-3,4-dihydro-2H-pyran?
6-(methoxymethyl)-3,4-dihydro-2H-pyran has a molecular weight of 128.17 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 12072135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).