4-(methoxymethyl)-2-methyloxane

C8H16O2 — CID 54041592

IUPAC4-(methoxymethyl)-2-methyloxane
SMILESCOCC1CCOC(C)C1
InChIInChI=1S/C8H16O2/c1-7-5-8(6-9-2)3-4-10-7/h7-8H,3-6H2,1-2H3
InChIKeyBRKZUFRMTMPQGS-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.45
Rot. Bonds2

About 4-(methoxymethyl)-2-methyloxane

4-(methoxymethyl)-2-methyloxane (PubChem CID 54041592) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-methyloxane.

Molecular Properties

Compound Name4-(methoxymethyl)-2-methyloxane
PubChem CID54041592
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name4-(methoxymethyl)-2-methyloxane
SMILESCOCC1CCOC(C)C1
InChIInChI=1S/C8H16O2/c1-7-5-8(6-9-2)3-4-10-7/h7-8H,3-6H2,1-2H3
InChIKeyBRKZUFRMTMPQGS-UHFFFAOYSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-methyloxane?
The IUPAC name of 4-(methoxymethyl)-2-methyloxane (CID 54041592) is 4-(methoxymethyl)-2-methyloxane.
What is the SMILES notation for 4-(methoxymethyl)-2-methyloxane?
The canonical SMILES for 4-(methoxymethyl)-2-methyloxane is COCC1CCOC(C)C1.
What is the InChIKey of 4-(methoxymethyl)-2-methyloxane?
The InChIKey is BRKZUFRMTMPQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-7-5-8(6-9-2)3-4-10-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-2-methyloxane?
4-(methoxymethyl)-2-methyloxane has a molecular weight of 144.21 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-methyloxane is sourced from PubChem (CID 54041592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).