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

C10H20O7 — CID 159030949

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyethanol;prop-2-enoic acid
SMILESC=CC(=O)O.COC(CO)OCCOCCO
InChIInChI=1S/C7H16O5.C3H4O2/c1-10-7(6-9)12-5-4-11-3-2-8;1-2-3(4)5/h7-9H,2-6H2,1H3;2H,1H2,(H,4,5)
InChIKeyJUWKVMOTDOVUDC-UHFFFAOYSA-N
MW252.26 g/mol
LogP-0.77
Rot. Bonds9

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

2-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyethanol;prop-2-enoic acid (PubChem CID 159030949) has the molecular formula C10H20O7 and a molecular weight of 252.26 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyethanol;prop-2-enoic acid.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyethanol;prop-2-enoic acid
PubChem CID159030949
Molecular FormulaC10H20O7
Molecular Weight252.26 g/mol
Exact Mass252.12
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyethanol;prop-2-enoic acid
SMILESC=CC(=O)O.COC(CO)OCCOCCO
InChIInChI=1S/C7H16O5.C3H4O2/c1-10-7(6-9)12-5-4-11-3-2-8;1-2-3(4)5/h7-9H,2-6H2,1H3;2H,1H2,(H,4,5)
InChIKeyJUWKVMOTDOVUDC-UHFFFAOYSA-N
XLogP-0.77
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[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-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 57305143
2-(2-hydroxyethoxy)ethanol;hexakis(prop-2-enoic acid)
CID 161223084
tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid
CID 173161681
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-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid
CID 174828919
bis(butane-1,1-diol);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;bis(prop-2-enoic acid)
CID 158001200
1-ethoxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
CID 88779964
2-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 57080200
1-(2-hydroxyethoxy)butan-2-ol;prop-2-enoic acid
CID 87077863
2-methoxyethanol;prop-2-enoic acid;titanium
CID 22899396
2-(2-hydroxyethoxy)ethanol;bis(methyl prop-2-enoate)
CID 160785980

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyethanol;prop-2-enoic acid?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyethanol;prop-2-enoic acid (CID 159030949) is 2-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyethanol;prop-2-enoic acid.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyethanol;prop-2-enoic acid?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyethanol;prop-2-enoic acid is C=CC(=O)O.COC(CO)OCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyethanol;prop-2-enoic acid?
The InChIKey is JUWKVMOTDOVUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O5.C3H4O2/c1-10-7(6-9)12-5-4-11-3-2-8;1-2-3(4)5/h7-9H,2-6H2,1H3;2H,1H2,(H,4,5).
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyethanol;prop-2-enoic acid?
2-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyethanol;prop-2-enoic acid has a molecular weight of 252.26 g/mol, XLogP of -0.77, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyethanol;prop-2-enoic acid is sourced from PubChem (CID 159030949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).