4-ethoxy-4-(2-ethoxyethyl)-2,6-dimethylheptane

C15H32O2 — CID 22153410

IUPAC4-ethoxy-4-(2-ethoxyethyl)-2,6-dimethylheptane
SMILESCCOCCC(CC(C)C)(CC(C)C)OCC
InChIInChI=1S/C15H32O2/c1-7-16-10-9-15(17-8-2,11-13(3)4)12-14(5)6/h13-14H,7-12H2,1-6H3
InChIKeyHQAJWDKZTWVMNZ-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.28
Rot. Bonds10

About 4-ethoxy-4-(2-ethoxyethyl)-2,6-dimethylheptane

4-ethoxy-4-(2-ethoxyethyl)-2,6-dimethylheptane (PubChem CID 22153410) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 4-ethoxy-4-(2-ethoxyethyl)-2,6-dimethylheptane.

Molecular Properties

Compound Name4-ethoxy-4-(2-ethoxyethyl)-2,6-dimethylheptane
PubChem CID22153410
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name4-ethoxy-4-(2-ethoxyethyl)-2,6-dimethylheptane
SMILESCCOCCC(CC(C)C)(CC(C)C)OCC
InChIInChI=1S/C15H32O2/c1-7-16-10-9-15(17-8-2,11-13(3)4)12-14(5)6/h13-14H,7-12H2,1-6H3
InChIKeyHQAJWDKZTWVMNZ-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.28
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 4-ethoxy-4-(2-ethoxyethyl)-2,6-dimethylheptane?
The IUPAC name of 4-ethoxy-4-(2-ethoxyethyl)-2,6-dimethylheptane (CID 22153410) is 4-ethoxy-4-(2-ethoxyethyl)-2,6-dimethylheptane.
What is the SMILES notation for 4-ethoxy-4-(2-ethoxyethyl)-2,6-dimethylheptane?
The canonical SMILES for 4-ethoxy-4-(2-ethoxyethyl)-2,6-dimethylheptane is CCOCCC(CC(C)C)(CC(C)C)OCC.
What is the InChIKey of 4-ethoxy-4-(2-ethoxyethyl)-2,6-dimethylheptane?
The InChIKey is HQAJWDKZTWVMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-7-16-10-9-15(17-8-2,11-13(3)4)12-14(5)6/h13-14H,7-12H2,1-6H3.
What are the key properties of 4-ethoxy-4-(2-ethoxyethyl)-2,6-dimethylheptane?
4-ethoxy-4-(2-ethoxyethyl)-2,6-dimethylheptane has a molecular weight of 244.42 g/mol, XLogP of 4.28, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-4-(2-ethoxyethyl)-2,6-dimethylheptane is sourced from PubChem (CID 22153410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).