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

C15H30O9 — CID 88779964

IUPAC1-ethoxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
SMILESC=CC(=O)O.CCOC(O)COCCOCCOCCOCCO
InChIInChI=1S/C12H26O7.C3H4O2/c1-2-19-12(14)11-18-10-9-17-8-7-16-6-5-15-4-3-13;1-2-3(4)5/h12-14H,2-11H2,1H3;2H,1H2,(H,4,5)
InChIKeyBXPPRGNMONDMBI-UHFFFAOYSA-N
MW354.40 g/mol
LogP-0.34
Rot. Bonds16

About 1-ethoxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid

1-ethoxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid (PubChem CID 88779964) has the molecular formula C15H30O9 and a molecular weight of 354.40 g/mol. Its IUPAC name is 1-ethoxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid.

Molecular Properties

Compound Name1-ethoxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
PubChem CID88779964
Molecular FormulaC15H30O9
Molecular Weight354.40 g/mol
Exact Mass354.19
IUPAC Name1-ethoxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
SMILESC=CC(=O)O.CCOC(O)COCCOCCOCCOCCO
InChIInChI=1S/C12H26O7.C3H4O2/c1-2-19-12(14)11-18-10-9-17-8-7-16-6-5-15-4-3-13;1-2-3(4)5/h12-14H,2-11H2,1H3;2H,1H2,(H,4,5)
InChIKeyBXPPRGNMONDMBI-UHFFFAOYSA-N
XLogP-0.34
TPSA123.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid
CID 87255416
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
1-(2-hydroxyethoxy)butan-2-ol;prop-2-enoic acid
CID 87077863
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol;prop-2-enoic acid
CID 67882500
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-hydroxyethoxy)ethanol;hexakis(prop-2-enoic acid)
CID 161223084
tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid
CID 173161681
1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl prop-2-enoate
CID 158731688
1-(2-ethoxyethoxy)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 151784602
1-ethoxy-2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 174187731
2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid
CID 174828919

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid?
The IUPAC name of 1-ethoxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid (CID 88779964) is 1-ethoxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid.
What is the SMILES notation for 1-ethoxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid?
The canonical SMILES for 1-ethoxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid is C=CC(=O)O.CCOC(O)COCCOCCOCCOCCO.
What is the InChIKey of 1-ethoxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid?
The InChIKey is BXPPRGNMONDMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O7.C3H4O2/c1-2-19-12(14)11-18-10-9-17-8-7-16-6-5-15-4-3-13;1-2-3(4)5/h12-14H,2-11H2,1H3;2H,1H2,(H,4,5).
What are the key properties of 1-ethoxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid?
1-ethoxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid has a molecular weight of 354.40 g/mol, XLogP of -0.34, 16 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid is sourced from PubChem (CID 88779964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).