4,5-bis(methoxymethyl)-2H-pyran

C9H14O3 — CID 23374306

IUPAC4,5-bis(methoxymethyl)-2H-pyran
SMILESCOCC1=CCOC=C1COC
InChIInChI=1S/C9H14O3/c1-10-5-8-3-4-12-7-9(8)6-11-2/h3,7H,4-6H2,1-2H3
InChIKeyPOIZJCLDSNYMLQ-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.12
Rot. Bonds4

About 4,5-bis(methoxymethyl)-2H-pyran

4,5-bis(methoxymethyl)-2H-pyran (PubChem CID 23374306) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4,5-bis(methoxymethyl)-2H-pyran.

Molecular Properties

Compound Name4,5-bis(methoxymethyl)-2H-pyran
PubChem CID23374306
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name4,5-bis(methoxymethyl)-2H-pyran
SMILESCOCC1=CCOC=C1COC
InChIInChI=1S/C9H14O3/c1-10-5-8-3-4-12-7-9(8)6-11-2/h3,7H,4-6H2,1-2H3
InChIKeyPOIZJCLDSNYMLQ-UHFFFAOYSA-N
XLogP1.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(methoxymethyl)-2H-pyran?
The IUPAC name of 4,5-bis(methoxymethyl)-2H-pyran (CID 23374306) is 4,5-bis(methoxymethyl)-2H-pyran.
What is the SMILES notation for 4,5-bis(methoxymethyl)-2H-pyran?
The canonical SMILES for 4,5-bis(methoxymethyl)-2H-pyran is COCC1=CCOC=C1COC.
What is the InChIKey of 4,5-bis(methoxymethyl)-2H-pyran?
The InChIKey is POIZJCLDSNYMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-10-5-8-3-4-12-7-9(8)6-11-2/h3,7H,4-6H2,1-2H3.
What are the key properties of 4,5-bis(methoxymethyl)-2H-pyran?
4,5-bis(methoxymethyl)-2H-pyran has a molecular weight of 170.21 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(methoxymethyl)-2H-pyran is sourced from PubChem (CID 23374306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).