4,4-bis(ethoxymethyl)-2,6-dimethylheptane

C15H32O2 — CID 22020668

IUPAC4,4-bis(ethoxymethyl)-2,6-dimethylheptane
SMILESCCOCC(COCC)(CC(C)C)CC(C)C
InChIInChI=1S/C15H32O2/c1-7-16-11-15(9-13(3)4,10-14(5)6)12-17-8-2/h13-14H,7-12H2,1-6H3
InChIKeyVVEYETJZOMJKNK-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.14
Rot. Bonds10

About 4,4-bis(ethoxymethyl)-2,6-dimethylheptane

4,4-bis(ethoxymethyl)-2,6-dimethylheptane (PubChem CID 22020668) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 4,4-bis(ethoxymethyl)-2,6-dimethylheptane.

Molecular Properties

Compound Name4,4-bis(ethoxymethyl)-2,6-dimethylheptane
PubChem CID22020668
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name4,4-bis(ethoxymethyl)-2,6-dimethylheptane
SMILESCCOCC(COCC)(CC(C)C)CC(C)C
InChIInChI=1S/C15H32O2/c1-7-16-11-15(9-13(3)4,10-14(5)6)12-17-8-2/h13-14H,7-12H2,1-6H3
InChIKeyVVEYETJZOMJKNK-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.14
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)-2,6-dimethylheptane?
The IUPAC name of 4,4-bis(ethoxymethyl)-2,6-dimethylheptane (CID 22020668) is 4,4-bis(ethoxymethyl)-2,6-dimethylheptane.
What is the SMILES notation for 4,4-bis(ethoxymethyl)-2,6-dimethylheptane?
The canonical SMILES for 4,4-bis(ethoxymethyl)-2,6-dimethylheptane is CCOCC(COCC)(CC(C)C)CC(C)C.
What is the InChIKey of 4,4-bis(ethoxymethyl)-2,6-dimethylheptane?
The InChIKey is VVEYETJZOMJKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-7-16-11-15(9-13(3)4,10-14(5)6)12-17-8-2/h13-14H,7-12H2,1-6H3.
What are the key properties of 4,4-bis(ethoxymethyl)-2,6-dimethylheptane?
4,4-bis(ethoxymethyl)-2,6-dimethylheptane has a molecular weight of 244.42 g/mol, XLogP of 4.14, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(ethoxymethyl)-2,6-dimethylheptane is sourced from PubChem (CID 22020668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).