hexadecane;2-(2-hydroxyethoxy)ethanol

C20H44O3 — CID 87490818

IUPAChexadecane;2-(2-hydroxyethoxy)ethanol
SMILESCCCCCCCCCCCCCCCC.OCCOCCO
InChIInChI=1S/C16H34.C4H10O3/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;5-1-3-7-4-2-6/h3-16H2,1-2H3;5-6H,1-4H2
InChIKeyOKPHEKRIEBZROL-UHFFFAOYSA-N
MW332.57 g/mol
LogP5.48
Rot. Bonds17

About hexadecane;2-(2-hydroxyethoxy)ethanol

hexadecane;2-(2-hydroxyethoxy)ethanol (PubChem CID 87490818) has the molecular formula C20H44O3 and a molecular weight of 332.57 g/mol. Its IUPAC name is hexadecane;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Namehexadecane;2-(2-hydroxyethoxy)ethanol
PubChem CID87490818
Molecular FormulaC20H44O3
Molecular Weight332.57 g/mol
Exact Mass332.33
IUPAC Namehexadecane;2-(2-hydroxyethoxy)ethanol
SMILESCCCCCCCCCCCCCCCC.OCCOCCO
InChIInChI=1S/C16H34.C4H10O3/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;5-1-3-7-4-2-6/h3-16H2,1-2H3;5-6H,1-4H2
InChIKeyOKPHEKRIEBZROL-UHFFFAOYSA-N
XLogP5.48
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.57
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-dodecoxyethanol
CID 24750
2-tetradecoxyethanol
CID 16491
2-(2-hydroxyethoxy)ethanol;octan-1-ol
CID 155256848
2-heptoxyethanol
CID 23889
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-[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
ethane-1,2-diol;2-octoxyethanol
CID 87517178
2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol
CID 169016922
2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol
CID 4639427

Frequently Asked Questions

What is the IUPAC name of hexadecane;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of hexadecane;2-(2-hydroxyethoxy)ethanol (CID 87490818) is hexadecane;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for hexadecane;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for hexadecane;2-(2-hydroxyethoxy)ethanol is CCCCCCCCCCCCCCCC.OCCOCCO.
What is the InChIKey of hexadecane;2-(2-hydroxyethoxy)ethanol?
The InChIKey is OKPHEKRIEBZROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34.C4H10O3/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;5-1-3-7-4-2-6/h3-16H2,1-2H3;5-6H,1-4H2.
What are the key properties of hexadecane;2-(2-hydroxyethoxy)ethanol?
hexadecane;2-(2-hydroxyethoxy)ethanol has a molecular weight of 332.57 g/mol, XLogP of 5.48, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecane;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 87490818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).