2-ethoxy-6-(2-methoxyethoxy)-2,3,3,6-tetramethylheptane

C16H34O3 — CID 167138738

IUPAC2-ethoxy-6-(2-methoxyethoxy)-2,3,3,6-tetramethylheptane
SMILESCCOC(C)(C)C(C)(C)CCC(C)(C)OCCOC
InChIInChI=1S/C16H34O3/c1-9-18-16(6,7)14(2,3)10-11-15(4,5)19-13-12-17-8/h9-13H2,1-8H3
InChIKeyCMXYCXIIINNPIF-UHFFFAOYSA-N
MW274.44 g/mol
LogP4.05
Rot. Bonds10

About 2-ethoxy-6-(2-methoxyethoxy)-2,3,3,6-tetramethylheptane

2-ethoxy-6-(2-methoxyethoxy)-2,3,3,6-tetramethylheptane (PubChem CID 167138738) has the molecular formula C16H34O3 and a molecular weight of 274.44 g/mol. Its IUPAC name is 2-ethoxy-6-(2-methoxyethoxy)-2,3,3,6-tetramethylheptane.

Molecular Properties

Compound Name2-ethoxy-6-(2-methoxyethoxy)-2,3,3,6-tetramethylheptane
PubChem CID167138738
Molecular FormulaC16H34O3
Molecular Weight274.44 g/mol
Exact Mass274.25
IUPAC Name2-ethoxy-6-(2-methoxyethoxy)-2,3,3,6-tetramethylheptane
SMILESCCOC(C)(C)C(C)(C)CCC(C)(C)OCCOC
InChIInChI=1S/C16H34O3/c1-9-18-16(6,7)14(2,3)10-11-15(4,5)19-13-12-17-8/h9-13H2,1-8H3
InChIKeyCMXYCXIIINNPIF-UHFFFAOYSA-N
XLogP4.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethoxy-6-(2-methoxyethoxy)-2,3,3,6-tetramethylheptane with MolForge

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

Launch Full Analysis

Related Compounds

1-ethoxy-1-iodo-1-(2-methoxyethoxy)ethane
CID 87061041
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbutane
CID 89483999
4-[3-(2-methoxyethoxy)-3-methylbutoxy]-4-methylpentanoic acid
CID 142009252
2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-1-amine
CID 65053170
1-(1-methoxy-2-methylpropan-2-yl)oxy-3-methyl-3-propoxybutane
CID 123855545
3-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropan-1-amine
CID 88578913
2-[2-(2-methoxyethoxy)ethoxy]-N,2-dimethylpropan-1-amine
CID 104566505
2-ethoxy-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 114941725
4-[2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxy-4-methyl-4-[2-methyl-4-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-yl]oxypentoxy]-3,3,4-trimethyl-1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane
CID 138534237
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylpropane
CID 134553507
4-[4-[1-[2-(2-methoxyethoxy)ethoxy]-5-[3-[2-(2-methoxyethoxy)ethoxy]-3-methylbutoxy]-4,4,5-trimethylhexan-2-yl]oxy-3,3,4-trimethylpentoxy]-4-methylpent-1-en-3-one
CID 123317002
2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyacetaldehyde
CID 166753432

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-(2-methoxyethoxy)-2,3,3,6-tetramethylheptane?
The IUPAC name of 2-ethoxy-6-(2-methoxyethoxy)-2,3,3,6-tetramethylheptane (CID 167138738) is 2-ethoxy-6-(2-methoxyethoxy)-2,3,3,6-tetramethylheptane.
What is the SMILES notation for 2-ethoxy-6-(2-methoxyethoxy)-2,3,3,6-tetramethylheptane?
The canonical SMILES for 2-ethoxy-6-(2-methoxyethoxy)-2,3,3,6-tetramethylheptane is CCOC(C)(C)C(C)(C)CCC(C)(C)OCCOC.
What is the InChIKey of 2-ethoxy-6-(2-methoxyethoxy)-2,3,3,6-tetramethylheptane?
The InChIKey is CMXYCXIIINNPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3/c1-9-18-16(6,7)14(2,3)10-11-15(4,5)19-13-12-17-8/h9-13H2,1-8H3.
What are the key properties of 2-ethoxy-6-(2-methoxyethoxy)-2,3,3,6-tetramethylheptane?
2-ethoxy-6-(2-methoxyethoxy)-2,3,3,6-tetramethylheptane has a molecular weight of 274.44 g/mol, XLogP of 4.05, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-(2-methoxyethoxy)-2,3,3,6-tetramethylheptane is sourced from PubChem (CID 167138738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).