1,1-dibutoxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol

C16H34O7 — CID 21391722

IUPAC1,1-dibutoxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
SMILESCCCCOC(O)(COCCOCCOCCO)OCCCC
InChIInChI=1S/C16H34O7/c1-3-5-8-22-16(18,23-9-6-4-2)15-21-14-13-20-12-11-19-10-7-17/h17-18H,3-15H2,1-2H3
InChIKeyUBXVYFGFOJMOKX-UHFFFAOYSA-N
MW338.44 g/mol
LogP1.31
Rot. Bonds18

About 1,1-dibutoxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol

1,1-dibutoxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol (PubChem CID 21391722) has the molecular formula C16H34O7 and a molecular weight of 338.44 g/mol. Its IUPAC name is 1,1-dibutoxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name1,1-dibutoxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
PubChem CID21391722
Molecular FormulaC16H34O7
Molecular Weight338.44 g/mol
Exact Mass338.23
IUPAC Name1,1-dibutoxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
SMILESCCCCOC(O)(COCCOCCOCCO)OCCCC
InChIInChI=1S/C16H34O7/c1-3-5-8-22-16(18,23-9-6-4-2)15-21-14-13-20-12-11-19-10-7-17/h17-18H,3-15H2,1-2H3
InChIKeyUBXVYFGFOJMOKX-UHFFFAOYSA-N
XLogP1.31
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Bis(2-(2-butoxyethoxy)ethoxy)methane
CID 8928
Hexaethylene glycol, butyl ether
CID 526556
Heptaethylene glycol, butyl ether
CID 6428207
(2-(2-Butoxyethoxy)ethoxy)methanol
CID 91792
3,6,9,12,15,18,21,24,27,30-Decaoxatetratriacontan-1-ol
CID 18929323
3,6,9,12,15,18,21,24,27-Nonaoxahentriacontan-1-ol
CID 20485677
1-Butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 23496529
2-[2-[3-[3-[3-(Methoxymethoxymethoxy)propoxymethoxy]propoxymethoxy]propoxy]ethoxy]ethanol
CID 5289132
2-Tetrabutoxyethane
CID 22497746
1-Butoxy-2-(2-hydroxyethoxy)ethanol
CID 22559689
Diethoxytriglycol
CID 129726277
Glycerol tributylate
CID 140350729

Frequently Asked Questions

What is the IUPAC name of 1,1-dibutoxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol?
The IUPAC name of 1,1-dibutoxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol (CID 21391722) is 1,1-dibutoxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 1,1-dibutoxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol?
The canonical SMILES for 1,1-dibutoxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol is CCCCOC(O)(COCCOCCOCCO)OCCCC.
What is the InChIKey of 1,1-dibutoxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol?
The InChIKey is UBXVYFGFOJMOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O7/c1-3-5-8-22-16(18,23-9-6-4-2)15-21-14-13-20-12-11-19-10-7-17/h17-18H,3-15H2,1-2H3.
What are the key properties of 1,1-dibutoxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol?
1,1-dibutoxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol has a molecular weight of 338.44 g/mol, XLogP of 1.31, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutoxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 21391722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).