3-(methoxymethyl)-4-propyloxane

C10H20O2 — CID 57017211

IUPAC3-(methoxymethyl)-4-propyloxane
SMILESCCCC1CCOCC1COC
InChIInChI=1S/C10H20O2/c1-3-4-9-5-6-12-8-10(9)7-11-2/h9-10H,3-8H2,1-2H3
InChIKeyIFGIQSDITSIEBU-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.09
Rot. Bonds4

About 3-(methoxymethyl)-4-propyloxane

3-(methoxymethyl)-4-propyloxane (PubChem CID 57017211) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(methoxymethyl)-4-propyloxane.

Molecular Properties

Compound Name3-(methoxymethyl)-4-propyloxane
PubChem CID57017211
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-(methoxymethyl)-4-propyloxane
SMILESCCCC1CCOCC1COC
InChIInChI=1S/C10H20O2/c1-3-4-9-5-6-12-8-10(9)7-11-2/h9-10H,3-8H2,1-2H3
InChIKeyIFGIQSDITSIEBU-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-4-propyloxane?
The IUPAC name of 3-(methoxymethyl)-4-propyloxane (CID 57017211) is 3-(methoxymethyl)-4-propyloxane.
What is the SMILES notation for 3-(methoxymethyl)-4-propyloxane?
The canonical SMILES for 3-(methoxymethyl)-4-propyloxane is CCCC1CCOCC1COC.
What is the InChIKey of 3-(methoxymethyl)-4-propyloxane?
The InChIKey is IFGIQSDITSIEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-4-9-5-6-12-8-10(9)7-11-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-4-propyloxane?
3-(methoxymethyl)-4-propyloxane has a molecular weight of 172.27 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-4-propyloxane is sourced from PubChem (CID 57017211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).