2-(2-butoxyethoxy)ethanol;2-[2-(2-butoxyethoxy)-1-hydroxyethyl]hexanedioic acid

C22H44O10 — CID 88820726

IUPAC2-(2-butoxyethoxy)ethanol;2-[2-(2-butoxyethoxy)-1-hydroxyethyl]hexanedioic acid
SMILESCCCCOCCOCC(O)C(CCCC(=O)O)C(=O)O.CCCCOCCOCCO
InChIInChI=1S/C14H26O7.C8H18O3/c1-2-3-7-20-8-9-21-10-12(15)11(14(18)19)5-4-6-13(16)17;1-2-3-5-10-7-8-11-6-4-9/h11-12,15H,2-10H2,1H3,(H,16,17)(H,18,19);9H,2-8H2,1H3
InChIKeyGEPZGHRXHTWUTQ-UHFFFAOYSA-N
MW468.58 g/mol
LogP1.95
Rot. Bonds22

About 2-(2-butoxyethoxy)ethanol;2-[2-(2-butoxyethoxy)-1-hydroxyethyl]hexanedioic acid

2-(2-butoxyethoxy)ethanol;2-[2-(2-butoxyethoxy)-1-hydroxyethyl]hexanedioic acid (PubChem CID 88820726) has the molecular formula C22H44O10 and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)ethanol;2-[2-(2-butoxyethoxy)-1-hydroxyethyl]hexanedioic acid.

Molecular Properties

Compound Name2-(2-butoxyethoxy)ethanol;2-[2-(2-butoxyethoxy)-1-hydroxyethyl]hexanedioic acid
PubChem CID88820726
Molecular FormulaC22H44O10
Molecular Weight468.58 g/mol
Exact Mass468.29
IUPAC Name2-(2-butoxyethoxy)ethanol;2-[2-(2-butoxyethoxy)-1-hydroxyethyl]hexanedioic acid
SMILESCCCCOCCOCC(O)C(CCCC(=O)O)C(=O)O.CCCCOCCOCCO
InChIInChI=1S/C14H26O7.C8H18O3/c1-2-3-7-20-8-9-21-10-12(15)11(14(18)19)5-4-6-13(16)17;1-2-3-5-10-7-8-11-6-4-9/h11-12,15H,2-10H2,1H3,(H,16,17)(H,18,19);9H,2-8H2,1H3
InChIKeyGEPZGHRXHTWUTQ-UHFFFAOYSA-N
XLogP1.95
TPSA151.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 87064442
heptanoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87510106
2-butoxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87566877
butanedioic acid;1-(2-hydroxyethoxy)hexan-2-ol;1-(2-hydroxyethoxy)propan-2-ol
CID 161461664
2-(1-hydroxy-2-methylsulfonyloxyethyl)hexanoic acid
CID 87961771
5-[2-(2-hydroxyethoxy)ethoxycarbonyl]heptanoic acid
CID 174815262
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol
CID 18459544
bis(hexanedioic acid);2-(2-hydroxyethoxy)ethanol
CID 159827287
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174801063
2-butoxyethanol
CID 8133
3-(2-butoxyethoxy)-2-methylpropanoic acid
CID 43537971
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexan-2-ol
CID 140523631

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)ethanol;2-[2-(2-butoxyethoxy)-1-hydroxyethyl]hexanedioic acid?
The IUPAC name of 2-(2-butoxyethoxy)ethanol;2-[2-(2-butoxyethoxy)-1-hydroxyethyl]hexanedioic acid (CID 88820726) is 2-(2-butoxyethoxy)ethanol;2-[2-(2-butoxyethoxy)-1-hydroxyethyl]hexanedioic acid.
What is the SMILES notation for 2-(2-butoxyethoxy)ethanol;2-[2-(2-butoxyethoxy)-1-hydroxyethyl]hexanedioic acid?
The canonical SMILES for 2-(2-butoxyethoxy)ethanol;2-[2-(2-butoxyethoxy)-1-hydroxyethyl]hexanedioic acid is CCCCOCCOCC(O)C(CCCC(=O)O)C(=O)O.CCCCOCCOCCO.
What is the InChIKey of 2-(2-butoxyethoxy)ethanol;2-[2-(2-butoxyethoxy)-1-hydroxyethyl]hexanedioic acid?
The InChIKey is GEPZGHRXHTWUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O7.C8H18O3/c1-2-3-7-20-8-9-21-10-12(15)11(14(18)19)5-4-6-13(16)17;1-2-3-5-10-7-8-11-6-4-9/h11-12,15H,2-10H2,1H3,(H,16,17)(H,18,19);9H,2-8H2,1H3.
What are the key properties of 2-(2-butoxyethoxy)ethanol;2-[2-(2-butoxyethoxy)-1-hydroxyethyl]hexanedioic acid?
2-(2-butoxyethoxy)ethanol;2-[2-(2-butoxyethoxy)-1-hydroxyethyl]hexanedioic acid has a molecular weight of 468.58 g/mol, XLogP of 1.95, 22 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)ethanol;2-[2-(2-butoxyethoxy)-1-hydroxyethyl]hexanedioic acid is sourced from PubChem (CID 88820726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).