azane;dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol

C18H43NO5 — CID 89123871

IUPACazane;dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESCCCCCCCCCCCCO.N.OCCOCCOCCO
InChIInChI=1S/C12H26O.C6H14O4.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13;7-1-3-9-5-6-10-4-2-8;/h13H,2-12H2,1H3;7-8H,1-6H2;1H3
InChIKeyDUBFTOWXNDLAEH-UHFFFAOYSA-N
MW353.54 g/mol
LogP3.07
Rot. Bonds17

About azane;dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol

azane;dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol (PubChem CID 89123871) has the molecular formula C18H43NO5 and a molecular weight of 353.54 g/mol. Its IUPAC name is azane;dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol.

Molecular Properties

Compound Nameazane;dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
PubChem CID89123871
Molecular FormulaC18H43NO5
Molecular Weight353.54 g/mol
Exact Mass353.31
IUPAC Nameazane;dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESCCCCCCCCCCCCO.N.OCCOCCOCCO
InChIInChI=1S/C12H26O.C6H14O4.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13;7-1-3-9-5-6-10-4-2-8;/h13H,2-12H2,1H3;7-8H,1-6H2;1H3
InChIKeyDUBFTOWXNDLAEH-UHFFFAOYSA-N
XLogP3.07
TPSA114.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.54
LogP ≤ 53.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethoxy)ethanol;octan-1-ol
CID 155256848
hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818
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-(12-octadecoxydodecoxy)ethoxy]ethanol
CID 169016922
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-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-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;hydrobromide
CID 172741236
2,2-bis(hydroxymethyl)propane-1,3-diol;hexane-1,6-diol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methanol;octadecan-1-ol
CID 157096786

Frequently Asked Questions

What is the IUPAC name of azane;dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The IUPAC name of azane;dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol (CID 89123871) is azane;dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol.
What is the SMILES notation for azane;dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The canonical SMILES for azane;dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol is CCCCCCCCCCCCO.N.OCCOCCOCCO.
What is the InChIKey of azane;dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The InChIKey is DUBFTOWXNDLAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.C6H14O4.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13;7-1-3-9-5-6-10-4-2-8;/h13H,2-12H2,1H3;7-8H,1-6H2;1H3.
What are the key properties of azane;dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
azane;dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol has a molecular weight of 353.54 g/mol, XLogP of 3.07, 17 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol is sourced from PubChem (CID 89123871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).