4,4-bis(ethoxymethyl)-2-methylhexane

C13H28O2 — CID 89107052

IUPAC4,4-bis(ethoxymethyl)-2-methylhexane
SMILESCCOCC(CC)(COCC)CC(C)C
InChIInChI=1S/C13H28O2/c1-6-13(9-12(4)5,10-14-7-2)11-15-8-3/h12H,6-11H2,1-5H3
InChIKeyJVDVICNIJARKLJ-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.50
Rot. Bonds9

About 4,4-bis(ethoxymethyl)-2-methylhexane

4,4-bis(ethoxymethyl)-2-methylhexane (PubChem CID 89107052) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 4,4-bis(ethoxymethyl)-2-methylhexane.

Molecular Properties

Compound Name4,4-bis(ethoxymethyl)-2-methylhexane
PubChem CID89107052
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name4,4-bis(ethoxymethyl)-2-methylhexane
SMILESCCOCC(CC)(COCC)CC(C)C
InChIInChI=1S/C13H28O2/c1-6-13(9-12(4)5,10-14-7-2)11-15-8-3/h12H,6-11H2,1-5H3
InChIKeyJVDVICNIJARKLJ-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(ethoxymethyl)-2-methylhexane?
The IUPAC name of 4,4-bis(ethoxymethyl)-2-methylhexane (CID 89107052) is 4,4-bis(ethoxymethyl)-2-methylhexane.
What is the SMILES notation for 4,4-bis(ethoxymethyl)-2-methylhexane?
The canonical SMILES for 4,4-bis(ethoxymethyl)-2-methylhexane is CCOCC(CC)(COCC)CC(C)C.
What is the InChIKey of 4,4-bis(ethoxymethyl)-2-methylhexane?
The InChIKey is JVDVICNIJARKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-6-13(9-12(4)5,10-14-7-2)11-15-8-3/h12H,6-11H2,1-5H3.
What are the key properties of 4,4-bis(ethoxymethyl)-2-methylhexane?
4,4-bis(ethoxymethyl)-2-methylhexane has a molecular weight of 216.36 g/mol, XLogP of 3.50, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(ethoxymethyl)-2-methylhexane is sourced from PubChem (CID 89107052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).