1-(2-methoxyethoxy)-4-methylpentane

C9H20O2 — CID 58479266

IUPAC1-(2-methoxyethoxy)-4-methylpentane
SMILESCOCCOCCCC(C)C
InChIInChI=1S/C9H20O2/c1-9(2)5-4-6-11-8-7-10-3/h9H,4-8H2,1-3H3
InChIKeyXDCQRYSCHRJJGL-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.09
Rot. Bonds7

About 1-(2-methoxyethoxy)-4-methylpentane

1-(2-methoxyethoxy)-4-methylpentane (PubChem CID 58479266) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-4-methylpentane.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-4-methylpentane
PubChem CID58479266
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1-(2-methoxyethoxy)-4-methylpentane
SMILESCOCCOCCCC(C)C
InChIInChI=1S/C9H20O2/c1-9(2)5-4-6-11-8-7-10-3/h9H,4-8H2,1-3H3
InChIKeyXDCQRYSCHRJJGL-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.09
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-methylpentane?
The IUPAC name of 1-(2-methoxyethoxy)-4-methylpentane (CID 58479266) is 1-(2-methoxyethoxy)-4-methylpentane.
What is the SMILES notation for 1-(2-methoxyethoxy)-4-methylpentane?
The canonical SMILES for 1-(2-methoxyethoxy)-4-methylpentane is COCCOCCCC(C)C.
What is the InChIKey of 1-(2-methoxyethoxy)-4-methylpentane?
The InChIKey is XDCQRYSCHRJJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-9(2)5-4-6-11-8-7-10-3/h9H,4-8H2,1-3H3.
What are the key properties of 1-(2-methoxyethoxy)-4-methylpentane?
1-(2-methoxyethoxy)-4-methylpentane has a molecular weight of 160.26 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-4-methylpentane is sourced from PubChem (CID 58479266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).