ethoxyethane;2-(2-hydroxyethoxy)ethanol;1-propoxyhexane

C17H40O5 — CID 88505248

IUPACethoxyethane;2-(2-hydroxyethoxy)ethanol;1-propoxyhexane
SMILESCCCCCCOCCC.CCOCC.OCCOCCO
InChIInChI=1S/C9H20O.C4H10O3.C4H10O/c1-3-5-6-7-9-10-8-4-2;5-1-3-7-4-2-6;1-3-5-4-2/h3-9H2,1-2H3;5-6H,1-4H2;3-4H2,1-2H3
InChIKeyHSMSTVVBILROKG-UHFFFAOYSA-N
MW324.50 g/mol
LogP3.02
Rot. Bonds13

About ethoxyethane;2-(2-hydroxyethoxy)ethanol;1-propoxyhexane

ethoxyethane;2-(2-hydroxyethoxy)ethanol;1-propoxyhexane (PubChem CID 88505248) has the molecular formula C17H40O5 and a molecular weight of 324.50 g/mol. Its IUPAC name is ethoxyethane;2-(2-hydroxyethoxy)ethanol;1-propoxyhexane.

Molecular Properties

Compound Nameethoxyethane;2-(2-hydroxyethoxy)ethanol;1-propoxyhexane
PubChem CID88505248
Molecular FormulaC17H40O5
Molecular Weight324.50 g/mol
Exact Mass324.29
IUPAC Nameethoxyethane;2-(2-hydroxyethoxy)ethanol;1-propoxyhexane
SMILESCCCCCCOCCC.CCOCC.OCCOCCO
InChIInChI=1S/C9H20O.C4H10O3.C4H10O/c1-3-5-6-7-9-10-8-4-2;5-1-3-7-4-2-6;1-3-5-4-2/h3-9H2,1-2H3;5-6H,1-4H2;3-4H2,1-2H3
InChIKeyHSMSTVVBILROKG-UHFFFAOYSA-N
XLogP3.02
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;ethoxyethane;2-(2-hexoxyethoxy)ethanol
CID 87199991
2-dodecoxyethanol
CID 24750
2-tetradecoxyethanol
CID 16491
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 ethoxyethane;2-(2-hydroxyethoxy)ethanol;1-propoxyhexane?
The IUPAC name of ethoxyethane;2-(2-hydroxyethoxy)ethanol;1-propoxyhexane (CID 88505248) is ethoxyethane;2-(2-hydroxyethoxy)ethanol;1-propoxyhexane.
What is the SMILES notation for ethoxyethane;2-(2-hydroxyethoxy)ethanol;1-propoxyhexane?
The canonical SMILES for ethoxyethane;2-(2-hydroxyethoxy)ethanol;1-propoxyhexane is CCCCCCOCCC.CCOCC.OCCOCCO.
What is the InChIKey of ethoxyethane;2-(2-hydroxyethoxy)ethanol;1-propoxyhexane?
The InChIKey is HSMSTVVBILROKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O.C4H10O3.C4H10O/c1-3-5-6-7-9-10-8-4-2;5-1-3-7-4-2-6;1-3-5-4-2/h3-9H2,1-2H3;5-6H,1-4H2;3-4H2,1-2H3.
What are the key properties of ethoxyethane;2-(2-hydroxyethoxy)ethanol;1-propoxyhexane?
ethoxyethane;2-(2-hydroxyethoxy)ethanol;1-propoxyhexane has a molecular weight of 324.50 g/mol, XLogP of 3.02, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;2-(2-hydroxyethoxy)ethanol;1-propoxyhexane is sourced from PubChem (CID 88505248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).