2,4-diethoxy-2-methylpentane

C10H22O2 — CID 123763060

IUPAC2,4-diethoxy-2-methylpentane
SMILESCCOC(C)CC(C)(C)OCC
InChIInChI=1S/C10H22O2/c1-6-11-9(3)8-10(4,5)12-7-2/h9H,6-8H2,1-5H3
InChIKeyWAHIYMRRTQOZPI-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.62
Rot. Bonds6

About 2,4-diethoxy-2-methylpentane

2,4-diethoxy-2-methylpentane (PubChem CID 123763060) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2,4-diethoxy-2-methylpentane.

Molecular Properties

Compound Name2,4-diethoxy-2-methylpentane
PubChem CID123763060
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2,4-diethoxy-2-methylpentane
SMILESCCOC(C)CC(C)(C)OCC
InChIInChI=1S/C10H22O2/c1-6-11-9(3)8-10(4,5)12-7-2/h9H,6-8H2,1-5H3
InChIKeyWAHIYMRRTQOZPI-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-diethoxy-2-methylpentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-diethoxy-2-methylpentane?
The IUPAC name of 2,4-diethoxy-2-methylpentane (CID 123763060) is 2,4-diethoxy-2-methylpentane.
What is the SMILES notation for 2,4-diethoxy-2-methylpentane?
The canonical SMILES for 2,4-diethoxy-2-methylpentane is CCOC(C)CC(C)(C)OCC.
What is the InChIKey of 2,4-diethoxy-2-methylpentane?
The InChIKey is WAHIYMRRTQOZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-6-11-9(3)8-10(4,5)12-7-2/h9H,6-8H2,1-5H3.
What are the key properties of 2,4-diethoxy-2-methylpentane?
2,4-diethoxy-2-methylpentane has a molecular weight of 174.28 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxy-2-methylpentane is sourced from PubChem (CID 123763060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).