2-[2-(2-methyloctan-2-yloxy)ethoxy]ethanol

C13H28O3 — CID 142712379

IUPAC2-[2-(2-methyloctan-2-yloxy)ethoxy]ethanol
SMILESCCCCCCC(C)(C)OCCOCCO
InChIInChI=1S/C13H28O3/c1-4-5-6-7-8-13(2,3)16-12-11-15-10-9-14/h14H,4-12H2,1-3H3
InChIKeyJDBYORHNCRGHMS-UHFFFAOYSA-N
MW232.36 g/mol
LogP2.76
Rot. Bonds11

About 2-[2-(2-methyloctan-2-yloxy)ethoxy]ethanol

2-[2-(2-methyloctan-2-yloxy)ethoxy]ethanol (PubChem CID 142712379) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 2-[2-(2-methyloctan-2-yloxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-methyloctan-2-yloxy)ethoxy]ethanol
PubChem CID142712379
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name2-[2-(2-methyloctan-2-yloxy)ethoxy]ethanol
SMILESCCCCCCC(C)(C)OCCOCCO
InChIInChI=1S/C13H28O3/c1-4-5-6-7-8-13(2,3)16-12-11-15-10-9-14/h14H,4-12H2,1-3H3
InChIKeyJDBYORHNCRGHMS-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
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-[2-(5-methylundecan-5-yloxy)ethoxy]ethanol
CID 166943275
2-[2-[2-[2-(2-methylpentadecan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol
CID 138401408
2-dodecoxy-2-methyltetradecane
CID 158074564
hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818
2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol
CID 169016922
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-heptadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15607546
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595918
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594676
2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol
CID 4639427
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595729
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-nonoxynonane
CID 22211981
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-pentadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139597034

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyloctan-2-yloxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-methyloctan-2-yloxy)ethoxy]ethanol (CID 142712379) is 2-[2-(2-methyloctan-2-yloxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-methyloctan-2-yloxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-methyloctan-2-yloxy)ethoxy]ethanol is CCCCCCC(C)(C)OCCOCCO.
What is the InChIKey of 2-[2-(2-methyloctan-2-yloxy)ethoxy]ethanol?
The InChIKey is JDBYORHNCRGHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-4-5-6-7-8-13(2,3)16-12-11-15-10-9-14/h14H,4-12H2,1-3H3.
What are the key properties of 2-[2-(2-methyloctan-2-yloxy)ethoxy]ethanol?
2-[2-(2-methyloctan-2-yloxy)ethoxy]ethanol has a molecular weight of 232.36 g/mol, XLogP of 2.76, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyloctan-2-yloxy)ethoxy]ethanol is sourced from PubChem (CID 142712379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).