ethane-1,2-diol;ethoxyethane;2-(2-hexoxyethoxy)ethanol

C16H38O6 — CID 87199991

IUPACethane-1,2-diol;ethoxyethane;2-(2-hexoxyethoxy)ethanol
SMILESCCCCCCOCCOCCO.CCOCC.OCCO
InChIInChI=1S/C10H22O3.C4H10O.C2H6O2/c1-2-3-4-5-7-12-9-10-13-8-6-11;1-3-5-4-2;3-1-2-4/h11H,2-10H2,1H3;3-4H2,1-2H3;3-4H,1-2H2
InChIKeyFGJUSIJSWUSUTJ-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.61
Rot. Bonds13

About ethane-1,2-diol;ethoxyethane;2-(2-hexoxyethoxy)ethanol

ethane-1,2-diol;ethoxyethane;2-(2-hexoxyethoxy)ethanol (PubChem CID 87199991) has the molecular formula C16H38O6 and a molecular weight of 326.47 g/mol. Its IUPAC name is ethane-1,2-diol;ethoxyethane;2-(2-hexoxyethoxy)ethanol.

Molecular Properties

Compound Nameethane-1,2-diol;ethoxyethane;2-(2-hexoxyethoxy)ethanol
PubChem CID87199991
Molecular FormulaC16H38O6
Molecular Weight326.47 g/mol
Exact Mass326.27
IUPAC Nameethane-1,2-diol;ethoxyethane;2-(2-hexoxyethoxy)ethanol
SMILESCCCCCCOCCOCCO.CCOCC.OCCO
InChIInChI=1S/C10H22O3.C4H10O.C2H6O2/c1-2-3-4-5-7-12-9-10-13-8-6-11;1-3-5-4-2;3-1-2-4/h11H,2-10H2,1H3;3-4H2,1-2H3;3-4H,1-2H2
InChIKeyFGJUSIJSWUSUTJ-UHFFFAOYSA-N
XLogP1.61
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethoxyethane;2-(2-hydroxyethoxy)ethanol;1-propoxyhexane
CID 88505248
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-[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-(12-octadecoxydodecoxy)ethoxy]ethanol
CID 169016922
ethane-1,2-diol;2-octoxyethanol
CID 87517178
2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol
CID 4639427
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
tetrakis(ethane-1,2-diol);silane;2-tridecoxyethanol
CID 175031479
2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;hydrobromide
CID 172741236

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethoxyethane;2-(2-hexoxyethoxy)ethanol?
The IUPAC name of ethane-1,2-diol;ethoxyethane;2-(2-hexoxyethoxy)ethanol (CID 87199991) is ethane-1,2-diol;ethoxyethane;2-(2-hexoxyethoxy)ethanol.
What is the SMILES notation for ethane-1,2-diol;ethoxyethane;2-(2-hexoxyethoxy)ethanol?
The canonical SMILES for ethane-1,2-diol;ethoxyethane;2-(2-hexoxyethoxy)ethanol is CCCCCCOCCOCCO.CCOCC.OCCO.
What is the InChIKey of ethane-1,2-diol;ethoxyethane;2-(2-hexoxyethoxy)ethanol?
The InChIKey is FGJUSIJSWUSUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3.C4H10O.C2H6O2/c1-2-3-4-5-7-12-9-10-13-8-6-11;1-3-5-4-2;3-1-2-4/h11H,2-10H2,1H3;3-4H2,1-2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;ethoxyethane;2-(2-hexoxyethoxy)ethanol?
ethane-1,2-diol;ethoxyethane;2-(2-hexoxyethoxy)ethanol has a molecular weight of 326.47 g/mol, XLogP of 1.61, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethoxyethane;2-(2-hexoxyethoxy)ethanol is sourced from PubChem (CID 87199991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).