bis(2-(2-ethoxyethoxy)ethanol);hydrate

C12H30O7 — CID 87793690

IUPACbis(2-(2-ethoxyethoxy)ethanol);hydrate
SMILESCCOCCOCCO.CCOCCOCCO.O
InChIInChI=1S/2C6H14O3.H2O/c2*1-2-8-5-6-9-4-3-7;/h2*7H,2-6H2,1H3;1H2
InChIKeyHDVBVTAXMZHKJC-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.76
Rot. Bonds12

About bis(2-(2-ethoxyethoxy)ethanol);hydrate

bis(2-(2-ethoxyethoxy)ethanol);hydrate (PubChem CID 87793690) has the molecular formula C12H30O7 and a molecular weight of 286.36 g/mol. Its IUPAC name is bis(2-(2-ethoxyethoxy)ethanol);hydrate.

Molecular Properties

Compound Namebis(2-(2-ethoxyethoxy)ethanol);hydrate
PubChem CID87793690
Molecular FormulaC12H30O7
Molecular Weight286.36 g/mol
Exact Mass286.20
IUPAC Namebis(2-(2-ethoxyethoxy)ethanol);hydrate
SMILESCCOCCOCCO.CCOCCOCCO.O
InChIInChI=1S/2C6H14O3.H2O/c2*1-2-8-5-6-9-4-3-7;/h2*7H,2-6H2,1H3;1H2
InChIKeyHDVBVTAXMZHKJC-UHFFFAOYSA-N
XLogP-0.76
TPSA108.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
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-ethoxyethoxy)ethanol;methanol
CID 87987109
calcium;2-(2-ethoxyethoxy)ethanol;hydride
CID 174899431
ethane-1,2-diol;2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethanol;methoxymethane
CID 23133360
2-ethoxyethanol;neodymium
CID 174490221
2-ethoxyethanol;silane
CID 173283937
2-(2-ethoxyethoxy)ethanol;propan-2-one
CID 158361782
ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methoxymethane
CID 18993831
1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol
CID 118657939
2-ethoxyethanol;trichloroiridium;hydrate
CID 174911272
2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol
CID 146492334
ethane-1,2-diol;2-(2-ethoxyethoxy)ethanol;prop-1-ene
CID 87402389
disodium;azanide;2-ethoxyethanol;hydride
CID 173429143

Frequently Asked Questions

What is the IUPAC name of bis(2-(2-ethoxyethoxy)ethanol);hydrate?
The IUPAC name of bis(2-(2-ethoxyethoxy)ethanol);hydrate (CID 87793690) is bis(2-(2-ethoxyethoxy)ethanol);hydrate.
What is the SMILES notation for bis(2-(2-ethoxyethoxy)ethanol);hydrate?
The canonical SMILES for bis(2-(2-ethoxyethoxy)ethanol);hydrate is CCOCCOCCO.CCOCCOCCO.O.
What is the InChIKey of bis(2-(2-ethoxyethoxy)ethanol);hydrate?
The InChIKey is HDVBVTAXMZHKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14O3.H2O/c2*1-2-8-5-6-9-4-3-7;/h2*7H,2-6H2,1H3;1H2.
What are the key properties of bis(2-(2-ethoxyethoxy)ethanol);hydrate?
bis(2-(2-ethoxyethoxy)ethanol);hydrate has a molecular weight of 286.36 g/mol, XLogP of -0.76, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(2-ethoxyethoxy)ethanol);hydrate is sourced from PubChem (CID 87793690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).