2-[2-(methoxymethoxy)ethyl]propanedioic acid;2-[2-(methoxymethoxy)ethyl]propane-1,3-diol

C14H28O10 — CID 90868246

IUPAC2-[2-(methoxymethoxy)ethyl]propanedioic acid;2-[2-(methoxymethoxy)ethyl]propane-1,3-diol
SMILESCOCOCCC(C(=O)O)C(=O)O.COCOCCC(CO)CO
InChIInChI=1S/C7H12O6.C7H16O4/c1-12-4-13-3-2-5(6(8)9)7(10)11;1-10-6-11-3-2-7(4-8)5-9/h5H,2-4H2,1H3,(H,8,9)(H,10,11);7-9H,2-6H2,1H3
InChIKeyQWXBPRJAJQWRRP-UHFFFAOYSA-N
MW356.37 g/mol
LogP-0.62
Rot. Bonds14

About 2-[2-(methoxymethoxy)ethyl]propanedioic acid;2-[2-(methoxymethoxy)ethyl]propane-1,3-diol

2-[2-(methoxymethoxy)ethyl]propanedioic acid;2-[2-(methoxymethoxy)ethyl]propane-1,3-diol (PubChem CID 90868246) has the molecular formula C14H28O10 and a molecular weight of 356.37 g/mol. Its IUPAC name is 2-[2-(methoxymethoxy)ethyl]propanedioic acid;2-[2-(methoxymethoxy)ethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[2-(methoxymethoxy)ethyl]propanedioic acid;2-[2-(methoxymethoxy)ethyl]propane-1,3-diol
PubChem CID90868246
Molecular FormulaC14H28O10
Molecular Weight356.37 g/mol
Exact Mass356.17
IUPAC Name2-[2-(methoxymethoxy)ethyl]propanedioic acid;2-[2-(methoxymethoxy)ethyl]propane-1,3-diol
SMILESCOCOCCC(C(=O)O)C(=O)O.COCOCCC(CO)CO
InChIInChI=1S/C7H12O6.C7H16O4/c1-12-4-13-3-2-5(6(8)9)7(10)11;1-10-6-11-3-2-7(4-8)5-9/h5H,2-4H2,1H3,(H,8,9)(H,10,11);7-9H,2-6H2,1H3
InChIKeyQWXBPRJAJQWRRP-UHFFFAOYSA-N
XLogP-0.62
TPSA151.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol
CID 103185077
3-amino-5-(methoxymethoxy)pentanoic acid
CID 87227923
2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid
CID 103973267
[4-hydroxy-3-(hydroxymethyl)butyl] acetate
CID 87761693
ethane;3-ethyl-1-(methoxymethoxy)hexane
CID 145144305
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid
CID 175405425
2-ethyl-4-methoxybutan-1-ol
CID 66058779
(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905
2-hydroxypropanoic acid;2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 86606251
4-methoxy-2-(sulfanylmethyl)butan-1-ol
CID 117236943
2-(aminomethyl)-4-methoxybutan-1-ol
CID 63216338
5-hydroxy-4-(hydroxymethyl)-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 58205613

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethoxy)ethyl]propanedioic acid;2-[2-(methoxymethoxy)ethyl]propane-1,3-diol?
The IUPAC name of 2-[2-(methoxymethoxy)ethyl]propanedioic acid;2-[2-(methoxymethoxy)ethyl]propane-1,3-diol (CID 90868246) is 2-[2-(methoxymethoxy)ethyl]propanedioic acid;2-[2-(methoxymethoxy)ethyl]propane-1,3-diol.
What is the SMILES notation for 2-[2-(methoxymethoxy)ethyl]propanedioic acid;2-[2-(methoxymethoxy)ethyl]propane-1,3-diol?
The canonical SMILES for 2-[2-(methoxymethoxy)ethyl]propanedioic acid;2-[2-(methoxymethoxy)ethyl]propane-1,3-diol is COCOCCC(C(=O)O)C(=O)O.COCOCCC(CO)CO.
What is the InChIKey of 2-[2-(methoxymethoxy)ethyl]propanedioic acid;2-[2-(methoxymethoxy)ethyl]propane-1,3-diol?
The InChIKey is QWXBPRJAJQWRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O6.C7H16O4/c1-12-4-13-3-2-5(6(8)9)7(10)11;1-10-6-11-3-2-7(4-8)5-9/h5H,2-4H2,1H3,(H,8,9)(H,10,11);7-9H,2-6H2,1H3.
What are the key properties of 2-[2-(methoxymethoxy)ethyl]propanedioic acid;2-[2-(methoxymethoxy)ethyl]propane-1,3-diol?
2-[2-(methoxymethoxy)ethyl]propanedioic acid;2-[2-(methoxymethoxy)ethyl]propane-1,3-diol has a molecular weight of 356.37 g/mol, XLogP of -0.62, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethoxy)ethyl]propanedioic acid;2-[2-(methoxymethoxy)ethyl]propane-1,3-diol is sourced from PubChem (CID 90868246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).