2-butoxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol

C14H28O9 — CID 87566877

IUPAC2-butoxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESCCCCOC(CC(=O)O)C(=O)O.OCCOCCOCCO
InChIInChI=1S/C8H14O5.C6H14O4/c1-2-3-4-13-6(8(11)12)5-7(9)10;7-1-3-9-5-6-10-4-2-8/h6H,2-5H2,1H3,(H,9,10)(H,11,12);7-8H,1-6H2
InChIKeyBQKHWIUDTDDICT-UHFFFAOYSA-N
MW340.37 g/mol
LogP-0.26
Rot. Bonds14

About 2-butoxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol

2-butoxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol (PubChem CID 87566877) has the molecular formula C14H28O9 and a molecular weight of 340.37 g/mol. Its IUPAC name is 2-butoxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-butoxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
PubChem CID87566877
Molecular FormulaC14H28O9
Molecular Weight340.37 g/mol
Exact Mass340.17
IUPAC Name2-butoxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESCCCCOC(CC(=O)O)C(=O)O.OCCOCCOCCO
InChIInChI=1S/C8H14O5.C6H14O4/c1-2-3-4-13-6(8(11)12)5-7(9)10;7-1-3-9-5-6-10-4-2-8/h6H,2-5H2,1H3,(H,9,10)(H,11,12);7-8H,1-6H2
InChIKeyBQKHWIUDTDDICT-UHFFFAOYSA-N
XLogP-0.26
TPSA142.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-butoxybutanedioic acid;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
CID 87565763
2-nonadecoxybutanedioic acid
CID 122611322
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol
CID 18459544
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174801063
2-butoxyethanol
CID 8133
propane-1,2-diol;2-propoxybutanedioic acid
CID 87565394
2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid
CID 174828919
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175100397
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175351747
2-(3-nonoxypropoxy)hexanoic acid
CID 175887191
2-butoxypropanoic acid;4-(4-hydroxybutoxy)butan-1-ol
CID 87566742
3-decylpentadecanoic acid;2-(2-hydroxyethoxy)ethanol
CID 87784441

Frequently Asked Questions

What is the IUPAC name of 2-butoxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The IUPAC name of 2-butoxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol (CID 87566877) is 2-butoxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol.
What is the SMILES notation for 2-butoxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The canonical SMILES for 2-butoxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol is CCCCOC(CC(=O)O)C(=O)O.OCCOCCOCCO.
What is the InChIKey of 2-butoxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The InChIKey is BQKHWIUDTDDICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5.C6H14O4/c1-2-3-4-13-6(8(11)12)5-7(9)10;7-1-3-9-5-6-10-4-2-8/h6H,2-5H2,1H3,(H,9,10)(H,11,12);7-8H,1-6H2.
What are the key properties of 2-butoxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
2-butoxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol has a molecular weight of 340.37 g/mol, XLogP of -0.26, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol is sourced from PubChem (CID 87566877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).