1-methoxy-2-(methoxymethyl)-3-methylbutane

C8H18O2 — CID 22020752

IUPAC1-methoxy-2-(methoxymethyl)-3-methylbutane
SMILESCOCC(COC)C(C)C
InChIInChI=1S/C8H18O2/c1-7(2)8(5-9-3)6-10-4/h7-8H,5-6H2,1-4H3
InChIKeyNGMVWDKVVMVTTM-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.55
Rot. Bonds5

About 1-methoxy-2-(methoxymethyl)-3-methylbutane

1-methoxy-2-(methoxymethyl)-3-methylbutane (PubChem CID 22020752) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 1-methoxy-2-(methoxymethyl)-3-methylbutane.

Molecular Properties

Compound Name1-methoxy-2-(methoxymethyl)-3-methylbutane
PubChem CID22020752
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name1-methoxy-2-(methoxymethyl)-3-methylbutane
SMILESCOCC(COC)C(C)C
InChIInChI=1S/C8H18O2/c1-7(2)8(5-9-3)6-10-4/h7-8H,5-6H2,1-4H3
InChIKeyNGMVWDKVVMVTTM-UHFFFAOYSA-N
XLogP1.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.55
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)-3-methylbutane?
The IUPAC name of 1-methoxy-2-(methoxymethyl)-3-methylbutane (CID 22020752) is 1-methoxy-2-(methoxymethyl)-3-methylbutane.
What is the SMILES notation for 1-methoxy-2-(methoxymethyl)-3-methylbutane?
The canonical SMILES for 1-methoxy-2-(methoxymethyl)-3-methylbutane is COCC(COC)C(C)C.
What is the InChIKey of 1-methoxy-2-(methoxymethyl)-3-methylbutane?
The InChIKey is NGMVWDKVVMVTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-7(2)8(5-9-3)6-10-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-methoxy-2-(methoxymethyl)-3-methylbutane?
1-methoxy-2-(methoxymethyl)-3-methylbutane has a molecular weight of 146.23 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(methoxymethyl)-3-methylbutane is sourced from PubChem (CID 22020752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).