2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid

C13H26O6 — CID 174828919

IUPAC2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid
SMILESC=CC(=O)O.CCCCOCCOCCOCCO
InChIInChI=1S/C10H22O4.C3H4O2/c1-2-3-5-12-7-9-14-10-8-13-6-4-11;1-2-3(4)5/h11H,2-10H2,1H3;2H,1H2,(H,4,5)
InChIKeyBZAFPSYCRACCLX-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.09
Rot. Bonds12

About 2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid

2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid (PubChem CID 174828919) has the molecular formula C13H26O6 and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid
PubChem CID174828919
Molecular FormulaC13H26O6
Molecular Weight278.34 g/mol
Exact Mass278.17
IUPAC Name2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid
SMILESC=CC(=O)O.CCCCOCCOCCOCCO
InChIInChI=1S/C10H22O4.C3H4O2/c1-2-3-5-12-7-9-14-10-8-13-6-4-11;1-2-3(4)5/h11H,2-10H2,1H3;2H,1H2,(H,4,5)
InChIKeyBZAFPSYCRACCLX-UHFFFAOYSA-N
XLogP1.09
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
CID 88626214
2-butoxyprop-2-enoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enoic acid
CID 157258625
2-(2-hydroxyethoxy)ethanol;hexakis(prop-2-enoic acid)
CID 161223084
tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid
CID 173161681
1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol;prop-2-enoic acid
CID 88661046
bis(butane-1,1-diol);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;bis(prop-2-enoic acid)
CID 158001200
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
butan-1-ol;prop-2-enoic acid
CID 18402454
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid (CID 174828919) is 2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid is C=CC(=O)O.CCCCOCCOCCOCCO.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid?
The InChIKey is BZAFPSYCRACCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4.C3H4O2/c1-2-3-5-12-7-9-14-10-8-13-6-4-11;1-2-3(4)5/h11H,2-10H2,1H3;2H,1H2,(H,4,5).
What are the key properties of 2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid?
2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid has a molecular weight of 278.34 g/mol, XLogP of 1.09, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid is sourced from PubChem (CID 174828919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).