4,4-bis(methoxymethyl)-2,6-dimethylheptane;ethoxyethane

C17H38O3 — CID 23173092

IUPAC4,4-bis(methoxymethyl)-2,6-dimethylheptane;ethoxyethane
SMILESCCOCC.COCC(COC)(CC(C)C)CC(C)C
InChIInChI=1S/C13H28O2.C4H10O/c1-11(2)7-13(9-14-5,10-15-6)8-12(3)4;1-3-5-4-2/h11-12H,7-10H2,1-6H3;3-4H2,1-2H3
InChIKeyAHAFGGGJTDGBAB-UHFFFAOYSA-N
MW290.49 g/mol
LogP4.40
Rot. Bonds10

About 4,4-bis(methoxymethyl)-2,6-dimethylheptane;ethoxyethane

4,4-bis(methoxymethyl)-2,6-dimethylheptane;ethoxyethane (PubChem CID 23173092) has the molecular formula C17H38O3 and a molecular weight of 290.49 g/mol. Its IUPAC name is 4,4-bis(methoxymethyl)-2,6-dimethylheptane;ethoxyethane.

Molecular Properties

Compound Name4,4-bis(methoxymethyl)-2,6-dimethylheptane;ethoxyethane
PubChem CID23173092
Molecular FormulaC17H38O3
Molecular Weight290.49 g/mol
Exact Mass290.28
IUPAC Name4,4-bis(methoxymethyl)-2,6-dimethylheptane;ethoxyethane
SMILESCCOCC.COCC(COC)(CC(C)C)CC(C)C
InChIInChI=1S/C13H28O2.C4H10O/c1-11(2)7-13(9-14-5,10-15-6)8-12(3)4;1-3-5-4-2/h11-12H,7-10H2,1-6H3;3-4H2,1-2H3
InChIKeyAHAFGGGJTDGBAB-UHFFFAOYSA-N
XLogP4.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(methoxymethyl)-2,6-dimethylheptane;ethoxyethane?
The IUPAC name of 4,4-bis(methoxymethyl)-2,6-dimethylheptane;ethoxyethane (CID 23173092) is 4,4-bis(methoxymethyl)-2,6-dimethylheptane;ethoxyethane.
What is the SMILES notation for 4,4-bis(methoxymethyl)-2,6-dimethylheptane;ethoxyethane?
The canonical SMILES for 4,4-bis(methoxymethyl)-2,6-dimethylheptane;ethoxyethane is CCOCC.COCC(COC)(CC(C)C)CC(C)C.
What is the InChIKey of 4,4-bis(methoxymethyl)-2,6-dimethylheptane;ethoxyethane?
The InChIKey is AHAFGGGJTDGBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2.C4H10O/c1-11(2)7-13(9-14-5,10-15-6)8-12(3)4;1-3-5-4-2/h11-12H,7-10H2,1-6H3;3-4H2,1-2H3.
What are the key properties of 4,4-bis(methoxymethyl)-2,6-dimethylheptane;ethoxyethane?
4,4-bis(methoxymethyl)-2,6-dimethylheptane;ethoxyethane has a molecular weight of 290.49 g/mol, XLogP of 4.40, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(methoxymethyl)-2,6-dimethylheptane;ethoxyethane is sourced from PubChem (CID 23173092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).