1-methoxy-2-(methoxymethyl)hexane

C9H20O2 — CID 22020753

IUPAC1-methoxy-2-(methoxymethyl)hexane
SMILESCCCCC(COC)COC
InChIInChI=1S/C9H20O2/c1-4-5-6-9(7-10-2)8-11-3/h9H,4-8H2,1-3H3
InChIKeyPPHMKLXXVBJEHR-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.09
Rot. Bonds7

About 1-methoxy-2-(methoxymethyl)hexane

1-methoxy-2-(methoxymethyl)hexane (PubChem CID 22020753) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-methoxy-2-(methoxymethyl)hexane.

Molecular Properties

Compound Name1-methoxy-2-(methoxymethyl)hexane
PubChem CID22020753
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1-methoxy-2-(methoxymethyl)hexane
SMILESCCCCC(COC)COC
InChIInChI=1S/C9H20O2/c1-4-5-6-9(7-10-2)8-11-3/h9H,4-8H2,1-3H3
InChIKeyPPHMKLXXVBJEHR-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(methoxymethyl)hexane?
The IUPAC name of 1-methoxy-2-(methoxymethyl)hexane (CID 22020753) is 1-methoxy-2-(methoxymethyl)hexane.
What is the SMILES notation for 1-methoxy-2-(methoxymethyl)hexane?
The canonical SMILES for 1-methoxy-2-(methoxymethyl)hexane is CCCCC(COC)COC.
What is the InChIKey of 1-methoxy-2-(methoxymethyl)hexane?
The InChIKey is PPHMKLXXVBJEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-4-5-6-9(7-10-2)8-11-3/h9H,4-8H2,1-3H3.
What are the key properties of 1-methoxy-2-(methoxymethyl)hexane?
1-methoxy-2-(methoxymethyl)hexane has a molecular weight of 160.26 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(methoxymethyl)hexane is sourced from PubChem (CID 22020753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).