2-[2-(5-methylundecan-5-yloxy)ethoxy]ethanol

C16H34O3 — CID 166943275

IUPAC2-[2-(5-methylundecan-5-yloxy)ethoxy]ethanol
SMILESCCCCCCC(C)(CCCC)OCCOCCO
InChIInChI=1S/C16H34O3/c1-4-6-8-9-11-16(3,10-7-5-2)19-15-14-18-13-12-17/h17H,4-15H2,1-3H3
InChIKeyOQUJVXPLFBLRCY-UHFFFAOYSA-N
MW274.44 g/mol
LogP3.93
Rot. Bonds14

About 2-[2-(5-methylundecan-5-yloxy)ethoxy]ethanol

2-[2-(5-methylundecan-5-yloxy)ethoxy]ethanol (PubChem CID 166943275) has the molecular formula C16H34O3 and a molecular weight of 274.44 g/mol. Its IUPAC name is 2-[2-(5-methylundecan-5-yloxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(5-methylundecan-5-yloxy)ethoxy]ethanol
PubChem CID166943275
Molecular FormulaC16H34O3
Molecular Weight274.44 g/mol
Exact Mass274.25
IUPAC Name2-[2-(5-methylundecan-5-yloxy)ethoxy]ethanol
SMILESCCCCCCC(C)(CCCC)OCCOCCO
InChIInChI=1S/C16H34O3/c1-4-6-8-9-11-16(3,10-7-5-2)19-15-14-18-13-12-17/h17H,4-15H2,1-3H3
InChIKeyOQUJVXPLFBLRCY-UHFFFAOYSA-N
XLogP3.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 53.93
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-(2-methyloctan-2-yloxy)ethoxy]ethanol
CID 142712379
9-heptoxy-9-methylhenicosane
CID 91127088
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-(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
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-(2-methylpentadecan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol
CID 138401408

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylundecan-5-yloxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(5-methylundecan-5-yloxy)ethoxy]ethanol (CID 166943275) is 2-[2-(5-methylundecan-5-yloxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(5-methylundecan-5-yloxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(5-methylundecan-5-yloxy)ethoxy]ethanol is CCCCCCC(C)(CCCC)OCCOCCO.
What is the InChIKey of 2-[2-(5-methylundecan-5-yloxy)ethoxy]ethanol?
The InChIKey is OQUJVXPLFBLRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3/c1-4-6-8-9-11-16(3,10-7-5-2)19-15-14-18-13-12-17/h17H,4-15H2,1-3H3.
What are the key properties of 2-[2-(5-methylundecan-5-yloxy)ethoxy]ethanol?
2-[2-(5-methylundecan-5-yloxy)ethoxy]ethanol has a molecular weight of 274.44 g/mol, XLogP of 3.93, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylundecan-5-yloxy)ethoxy]ethanol is sourced from PubChem (CID 166943275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).