2-[2-(16-methylheptadecoxy)ethoxy]ethanol

C22H46O3 — CID 10991978

IUPAC2-[2-(16-methylheptadecoxy)ethoxy]ethanol
SMILESCC(C)CCCCCCCCCCCCCCCOCCOCCO
InChIInChI=1S/C22H46O3/c1-22(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-18-24-20-21-25-19-17-23/h22-23H,3-21H2,1-2H3
InChIKeyZITBHNVGLSVXEF-UHFFFAOYSA-N
MW358.61 g/mol
LogP6.13
Rot. Bonds21

About 2-[2-(16-methylheptadecoxy)ethoxy]ethanol

2-[2-(16-methylheptadecoxy)ethoxy]ethanol (PubChem CID 10991978) has the molecular formula C22H46O3 and a molecular weight of 358.61 g/mol. Its IUPAC name is 2-[2-(16-methylheptadecoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(16-methylheptadecoxy)ethoxy]ethanol
PubChem CID10991978
Molecular FormulaC22H46O3
Molecular Weight358.61 g/mol
Exact Mass358.34
IUPAC Name2-[2-(16-methylheptadecoxy)ethoxy]ethanol
SMILESCC(C)CCCCCCCCCCCCCCCOCCOCCO
InChIInChI=1S/C22H46O3/c1-22(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-18-24-20-21-25-19-17-23/h22-23H,3-21H2,1-2H3
InChIKeyZITBHNVGLSVXEF-UHFFFAOYSA-N
XLogP6.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.61
LogP ≤ 56.13
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(16-methylheptadecoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(16-methylheptadecoxy)ethoxy]ethanol (CID 10991978) is 2-[2-(16-methylheptadecoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(16-methylheptadecoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(16-methylheptadecoxy)ethoxy]ethanol is CC(C)CCCCCCCCCCCCCCCOCCOCCO.
What is the InChIKey of 2-[2-(16-methylheptadecoxy)ethoxy]ethanol?
The InChIKey is ZITBHNVGLSVXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O3/c1-22(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-18-24-20-21-25-19-17-23/h22-23H,3-21H2,1-2H3.
What are the key properties of 2-[2-(16-methylheptadecoxy)ethoxy]ethanol?
2-[2-(16-methylheptadecoxy)ethoxy]ethanol has a molecular weight of 358.61 g/mol, XLogP of 6.13, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(16-methylheptadecoxy)ethoxy]ethanol is sourced from PubChem (CID 10991978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).