1-butoxy-2-(2-hydroxyethoxy)ethanol

C8H18O4 — CID 22559689

IUPAC1-butoxy-2-(2-hydroxyethoxy)ethanol
SMILESCCCCOC(O)COCCO
InChIInChI=1S/C8H18O4/c1-2-3-5-12-8(10)7-11-6-4-9/h8-10H,2-7H2,1H3
InChIKeyDUWHRGURWQOAMW-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.13
Rot. Bonds8

About 1-butoxy-2-(2-hydroxyethoxy)ethanol

1-butoxy-2-(2-hydroxyethoxy)ethanol (PubChem CID 22559689) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-butoxy-2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Name1-butoxy-2-(2-hydroxyethoxy)ethanol
PubChem CID22559689
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name1-butoxy-2-(2-hydroxyethoxy)ethanol
SMILESCCCCOC(O)COCCO
InChIInChI=1S/C8H18O4/c1-2-3-5-12-8(10)7-11-6-4-9/h8-10H,2-7H2,1H3
InChIKeyDUWHRGURWQOAMW-UHFFFAOYSA-N
XLogP0.13
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Tripropylene glycol n-butyl ether
CID 60196418
1-(2-Butoxyethoxy)ethanol
CID 41088
(2-(2-Butoxyethoxy)ethoxy)methanol
CID 91792
1-[2-(1-Hydroxypropoxy)propoxy]propan-1-ol
CID 22833317
1-Butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 23496529
2-(3,3-Diethoxypropoxy)ethan-1-ol
CID 13183693
1,4,7,10,13,16-Hexaoxacyclooctadecan-2-ol
CID 13842158
(2-Butoxyethoxy)methanol
CID 3019577
2-(2,2-Diethoxyethoxy)ethan-1-ol
CID 13458802
1,1,3,3-Tetraethoxypropan-2-ol
CID 13625221
1-(2-Butoxy-1-methylethoxy) propanol
CID 19768947
1-Ethoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 19920024

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2-(2-hydroxyethoxy)ethanol?
The IUPAC name of 1-butoxy-2-(2-hydroxyethoxy)ethanol (CID 22559689) is 1-butoxy-2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for 1-butoxy-2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for 1-butoxy-2-(2-hydroxyethoxy)ethanol is CCCCOC(O)COCCO.
What is the InChIKey of 1-butoxy-2-(2-hydroxyethoxy)ethanol?
The InChIKey is DUWHRGURWQOAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4/c1-2-3-5-12-8(10)7-11-6-4-9/h8-10H,2-7H2,1H3.
What are the key properties of 1-butoxy-2-(2-hydroxyethoxy)ethanol?
1-butoxy-2-(2-hydroxyethoxy)ethanol has a molecular weight of 178.23 g/mol, XLogP of 0.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 22559689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).