2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;oxirane-2-carboxylic acid

C10H20O8 — CID 88623730

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;oxirane-2-carboxylic acid
SMILESCOC(O)COCCOCCO.O=C(O)C1CO1
InChIInChI=1S/C7H16O5.C3H4O3/c1-10-7(9)6-12-5-4-11-3-2-8;4-3(5)2-1-6-2/h7-9H,2-6H2,1H3;2H,1H2,(H,4,5)
InChIKeySAXGUYUXONGXRC-UHFFFAOYSA-N
MW268.26 g/mol
LogP-1.55
Rot. Bonds9

About 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;oxirane-2-carboxylic acid

2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;oxirane-2-carboxylic acid (PubChem CID 88623730) has the molecular formula C10H20O8 and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;oxirane-2-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;oxirane-2-carboxylic acid
PubChem CID88623730
Molecular FormulaC10H20O8
Molecular Weight268.26 g/mol
Exact Mass268.12
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;oxirane-2-carboxylic acid
SMILESCOC(O)COCCOCCO.O=C(O)C1CO1
InChIInChI=1S/C7H16O5.C3H4O3/c1-10-7(9)6-12-5-4-11-3-2-8;4-3(5)2-1-6-2/h7-9H,2-6H2,1H3;2H,1H2,(H,4,5)
InChIKeySAXGUYUXONGXRC-UHFFFAOYSA-N
XLogP-1.55
TPSA117.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;2-sulfanylacetic acid
CID 175590705
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-hydroxyethoxy)-1-methoxyethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 22726121
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;2-methylprop-2-enoic acid
CID 87255356
azane;2-(2-hydroxyethoxy)-1-methoxyethanol
CID 90384460
2-adamantyl prop-2-enoate;2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;prop-2-enoic acid
CID 159534409
[1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl] acetate
CID 18377815
2-[2-(2-methoxy-2-sulfanylethoxy)ethoxy]ethanol
CID 87134161
decyl prop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol
CID 175496624
2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;nonyl prop-2-enoate
CID 175496640
2-hydroxypropanoic acid;2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 86606251
1-ethoxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
CID 88779964

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;oxirane-2-carboxylic acid?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;oxirane-2-carboxylic acid (CID 88623730) is 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;oxirane-2-carboxylic acid.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;oxirane-2-carboxylic acid?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;oxirane-2-carboxylic acid is COC(O)COCCOCCO.O=C(O)C1CO1.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;oxirane-2-carboxylic acid?
The InChIKey is SAXGUYUXONGXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O5.C3H4O3/c1-10-7(9)6-12-5-4-11-3-2-8;4-3(5)2-1-6-2/h7-9H,2-6H2,1H3;2H,1H2,(H,4,5).
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;oxirane-2-carboxylic acid?
2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;oxirane-2-carboxylic acid has a molecular weight of 268.26 g/mol, XLogP of -1.55, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;oxirane-2-carboxylic acid is sourced from PubChem (CID 88623730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).