1-(2-methoxyethoxy)-4,4-dimethylhexane

C11H24O2 — CID 58422071

IUPAC1-(2-methoxyethoxy)-4,4-dimethylhexane
SMILESCCC(C)(C)CCCOCCOC
InChIInChI=1S/C11H24O2/c1-5-11(2,3)7-6-8-13-10-9-12-4/h5-10H2,1-4H3
InChIKeyNDMSUAXOXPZMLN-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.87
Rot. Bonds8

About 1-(2-methoxyethoxy)-4,4-dimethylhexane

1-(2-methoxyethoxy)-4,4-dimethylhexane (PubChem CID 58422071) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-4,4-dimethylhexane.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-4,4-dimethylhexane
PubChem CID58422071
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1-(2-methoxyethoxy)-4,4-dimethylhexane
SMILESCCC(C)(C)CCCOCCOC
InChIInChI=1S/C11H24O2/c1-5-11(2,3)7-6-8-13-10-9-12-4/h5-10H2,1-4H3
InChIKeyNDMSUAXOXPZMLN-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-4,4-dimethylhexane?
The IUPAC name of 1-(2-methoxyethoxy)-4,4-dimethylhexane (CID 58422071) is 1-(2-methoxyethoxy)-4,4-dimethylhexane.
What is the SMILES notation for 1-(2-methoxyethoxy)-4,4-dimethylhexane?
The canonical SMILES for 1-(2-methoxyethoxy)-4,4-dimethylhexane is CCC(C)(C)CCCOCCOC.
What is the InChIKey of 1-(2-methoxyethoxy)-4,4-dimethylhexane?
The InChIKey is NDMSUAXOXPZMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-5-11(2,3)7-6-8-13-10-9-12-4/h5-10H2,1-4H3.
What are the key properties of 1-(2-methoxyethoxy)-4,4-dimethylhexane?
1-(2-methoxyethoxy)-4,4-dimethylhexane has a molecular weight of 188.31 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-4,4-dimethylhexane is sourced from PubChem (CID 58422071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).