1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane

C16H34O6 — CID 121246575

IUPAC1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane
SMILESCCOCCOCCOCC(CC)OCCOCCOCC
InChIInChI=1S/C16H34O6/c1-4-16(22-14-13-20-10-8-18-6-3)15-21-12-11-19-9-7-17-5-2/h16H,4-15H2,1-3H3
InChIKeyPHUOKYLGXUVWMN-UHFFFAOYSA-N
MW322.44 g/mol
LogP1.90
Rot. Bonds18

About 1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane

1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane (PubChem CID 121246575) has the molecular formula C16H34O6 and a molecular weight of 322.44 g/mol. Its IUPAC name is 1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane.

Molecular Properties

Compound Name1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane
PubChem CID121246575
Molecular FormulaC16H34O6
Molecular Weight322.44 g/mol
Exact Mass322.24
IUPAC Name1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane
SMILESCCOCCOCCOCC(CC)OCCOCCOCC
InChIInChI=1S/C16H34O6/c1-4-16(22-14-13-20-10-8-18-6-3)15-21-12-11-19-9-7-17-5-2/h16H,4-15H2,1-3H3
InChIKeyPHUOKYLGXUVWMN-UHFFFAOYSA-N
XLogP1.90
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 51.90
H-Bond Donors ≤ 50
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-[2-(2-ethoxyethoxy)ethoxy]butoxy]ethanol
CID 122516428
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol
CID 18724197
2-[2-[2-[1-(2-propoxyethoxy)butan-2-yloxy]ethoxy]ethoxy]ethanol
CID 140916891
4-[2-[2-[1-[2-[2-[2,3-bis[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethoxy]butan-2-yloxy]ethoxy]ethoxy]-1,2-bis[2-(2-methoxyethoxy)ethoxy]butane;methanethiol
CID 157198913
2-(2-ethoxyethoxy)-N-methylbutan-1-amine
CID 62444508
1-[1-(2-methoxyethoxy)butan-2-yloxy]pentane
CID 165154265
4-(2-ethoxybutoxy)butyl 2-ethoxyethyl carbonate
CID 87247774
benzene;1,2-diethoxybutane
CID 67553171
methane;methylsulfanylmethane;2-(2-propoxyethoxy)-1-[2-(2-propoxyethoxy)ethoxy]-3-[2-(2-propoxyethoxy)-3-[2-(2-propoxyethoxy)-3-[2-(2-propoxyethoxy)-3-[2-(2-propoxyethoxy)-3-[2-(2-propoxyethoxy)-3-[2-(2-propoxyethoxy)ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propane
CID 159675079
2-[2-butoxy-3-(2,3-dibutoxypropoxy)propoxy]-1-(2,3-dibutoxypropoxy)butane
CID 157319406
2-ethoxy-1-[2-(2-ethoxyethoxy)ethoxy]ethanol
CID 88518191
2-(2-ethoxybutoxy)ethyl methyl carbonate
CID 87247647

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane?
The IUPAC name of 1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane (CID 121246575) is 1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane.
What is the SMILES notation for 1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane?
The canonical SMILES for 1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane is CCOCCOCCOCC(CC)OCCOCCOCC.
What is the InChIKey of 1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane?
The InChIKey is PHUOKYLGXUVWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O6/c1-4-16(22-14-13-20-10-8-18-6-3)15-21-12-11-19-9-7-17-5-2/h16H,4-15H2,1-3H3.
What are the key properties of 1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane?
1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane has a molecular weight of 322.44 g/mol, XLogP of 1.90, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane is sourced from PubChem (CID 121246575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).