1-[2-(2,2-dimethylpropoxy)ethoxy]hexadecane

C23H48O2 — CID 175012315

IUPAC1-[2-(2,2-dimethylpropoxy)ethoxy]hexadecane
SMILESCCCCCCCCCCCCCCCCOCCOCC(C)(C)C
InChIInChI=1S/C23H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-21-25-22-23(2,3)4/h5-22H2,1-4H3
InChIKeyATEXOTRRDBBFDS-UHFFFAOYSA-N
MW356.64 g/mol
LogP7.55
Rot. Bonds19

About 1-[2-(2,2-dimethylpropoxy)ethoxy]hexadecane

1-[2-(2,2-dimethylpropoxy)ethoxy]hexadecane (PubChem CID 175012315) has the molecular formula C23H48O2 and a molecular weight of 356.64 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylpropoxy)ethoxy]hexadecane.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpropoxy)ethoxy]hexadecane
PubChem CID175012315
Molecular FormulaC23H48O2
Molecular Weight356.64 g/mol
Exact Mass356.37
IUPAC Name1-[2-(2,2-dimethylpropoxy)ethoxy]hexadecane
SMILESCCCCCCCCCCCCCCCCOCCOCC(C)(C)C
InChIInChI=1S/C23H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-21-25-22-23(2,3)4/h5-22H2,1-4H3
InChIKeyATEXOTRRDBBFDS-UHFFFAOYSA-N
XLogP7.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.64
LogP ≤ 57.55
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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Related Compounds

1-[3-(2,2-dimethylpropoxy)propoxy]hexane
CID 166789205
1-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151767279
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octadecane
CID 86345710
1-(2-octoxyethoxy)octane
CID 12711862
1-[2-(2-heptoxyethoxy)ethoxy]heptane
CID 14402381
1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane
CID 86197097
1-(2-decoxyethoxy)decane
CID 14009354
1-(2-nonoxyethoxy)nonane
CID 87982931
1-dodecoxyhexadecane
CID 22256973
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylpropoxy)ethoxy]hexadecane?
The IUPAC name of 1-[2-(2,2-dimethylpropoxy)ethoxy]hexadecane (CID 175012315) is 1-[2-(2,2-dimethylpropoxy)ethoxy]hexadecane.
What is the SMILES notation for 1-[2-(2,2-dimethylpropoxy)ethoxy]hexadecane?
The canonical SMILES for 1-[2-(2,2-dimethylpropoxy)ethoxy]hexadecane is CCCCCCCCCCCCCCCCOCCOCC(C)(C)C.
What is the InChIKey of 1-[2-(2,2-dimethylpropoxy)ethoxy]hexadecane?
The InChIKey is ATEXOTRRDBBFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-21-25-22-23(2,3)4/h5-22H2,1-4H3.
What are the key properties of 1-[2-(2,2-dimethylpropoxy)ethoxy]hexadecane?
1-[2-(2,2-dimethylpropoxy)ethoxy]hexadecane has a molecular weight of 356.64 g/mol, XLogP of 7.55, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylpropoxy)ethoxy]hexadecane is sourced from PubChem (CID 175012315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).