2-ethyl-2-[2-(2-methoxyethoxy)ethyl]hexan-1-ol

C13H28O3 — CID 66058911

IUPAC2-ethyl-2-[2-(2-methoxyethoxy)ethyl]hexan-1-ol
SMILESCCCCC(CC)(CO)CCOCCOC
InChIInChI=1S/C13H28O3/c1-4-6-7-13(5-2,12-14)8-9-16-11-10-15-3/h14H,4-12H2,1-3H3
InChIKeyJTOCTXHCHIHZHF-UHFFFAOYSA-N
MW232.36 g/mol
LogP2.62
Rot. Bonds11

About 2-ethyl-2-[2-(2-methoxyethoxy)ethyl]hexan-1-ol

2-ethyl-2-[2-(2-methoxyethoxy)ethyl]hexan-1-ol (PubChem CID 66058911) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 2-ethyl-2-[2-(2-methoxyethoxy)ethyl]hexan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[2-(2-methoxyethoxy)ethyl]hexan-1-ol
PubChem CID66058911
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name2-ethyl-2-[2-(2-methoxyethoxy)ethyl]hexan-1-ol
SMILESCCCCC(CC)(CO)CCOCCOC
InChIInChI=1S/C13H28O3/c1-4-6-7-13(5-2,12-14)8-9-16-11-10-15-3/h14H,4-12H2,1-3H3
InChIKeyJTOCTXHCHIHZHF-UHFFFAOYSA-N
XLogP2.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-2-ethylpropane-1,3-diol
CID 87084275
2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol
CID 23057811
3-(chloromethyl)-3-ethyl-1-[2-(2-methoxyethoxy)ethoxy]pentane
CID 104568681
2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 62724846
2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine
CID 103412480
2-ethyl-2-[2-(3-methoxypropoxy)ethyl]-N-propylhexan-1-amine
CID 103183523
2-butyl-2-ethyl-5,5-dimethylhexan-1-ol
CID 66057661
2-[2-(2-methoxyethoxy)ethyl]-2-methylpentan-1-ol
CID 66025453
2-ethyl-5-(2-methoxyethoxy)-2-methylpentan-1-ol
CID 103415225
methane;1-(2-methoxyethoxy)butane;propan-1-ol
CID 167623452
2-butyl-2-ethylpropane-1,3-diol;nonane-1,9-diol
CID 157049942
ethanol;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87301416

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[2-(2-methoxyethoxy)ethyl]hexan-1-ol?
The IUPAC name of 2-ethyl-2-[2-(2-methoxyethoxy)ethyl]hexan-1-ol (CID 66058911) is 2-ethyl-2-[2-(2-methoxyethoxy)ethyl]hexan-1-ol.
What is the SMILES notation for 2-ethyl-2-[2-(2-methoxyethoxy)ethyl]hexan-1-ol?
The canonical SMILES for 2-ethyl-2-[2-(2-methoxyethoxy)ethyl]hexan-1-ol is CCCCC(CC)(CO)CCOCCOC.
What is the InChIKey of 2-ethyl-2-[2-(2-methoxyethoxy)ethyl]hexan-1-ol?
The InChIKey is JTOCTXHCHIHZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-4-6-7-13(5-2,12-14)8-9-16-11-10-15-3/h14H,4-12H2,1-3H3.
What are the key properties of 2-ethyl-2-[2-(2-methoxyethoxy)ethyl]hexan-1-ol?
2-ethyl-2-[2-(2-methoxyethoxy)ethyl]hexan-1-ol has a molecular weight of 232.36 g/mol, XLogP of 2.62, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[2-(2-methoxyethoxy)ethyl]hexan-1-ol is sourced from PubChem (CID 66058911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).