2,2-bis(ethenoxymethyl)pentanedioic acid

C11H16O6 — CID 90257136

IUPAC2,2-bis(ethenoxymethyl)pentanedioic acid
SMILESC=COCC(CCC(=O)O)(COC=C)C(=O)O
InChIInChI=1S/C11H16O6/c1-3-16-7-11(10(14)15,8-17-4-2)6-5-9(12)13/h3-4H,1-2,5-8H2,(H,12,13)(H,14,15)
InChIKeyMUUNFXJJKBXYQQ-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.24
Rot. Bonds10

About 2,2-bis(ethenoxymethyl)pentanedioic acid

2,2-bis(ethenoxymethyl)pentanedioic acid (PubChem CID 90257136) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2,2-bis(ethenoxymethyl)pentanedioic acid.

Molecular Properties

Compound Name2,2-bis(ethenoxymethyl)pentanedioic acid
PubChem CID90257136
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name2,2-bis(ethenoxymethyl)pentanedioic acid
SMILESC=COCC(CCC(=O)O)(COC=C)C(=O)O
InChIInChI=1S/C11H16O6/c1-3-16-7-11(10(14)15,8-17-4-2)6-5-9(12)13/h3-4H,1-2,5-8H2,(H,12,13)(H,14,15)
InChIKeyMUUNFXJJKBXYQQ-UHFFFAOYSA-N
XLogP1.24
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2,2-bis(2,2,2-trifluoroethyl)pentanedioic acid
CID 87891825
2,2-bis(prop-2-ynyl)pentanedioic acid
CID 88551261
7-methoxy-4,4,6,6-tetramethylheptanoic acid
CID 123236488
2,2-di(docosyl)pentanedioic acid
CID 88540847
2,2-di(undecyl)pentanedioic acid
CID 88541236
2,2-bis(methoxycarbonyloxymethyl)hexanedioic acid
CID 87662267
2,2-bis(hexanoyloxymethyl)nonanedioic acid
CID 87662138
5-ethenoxy-2,2-dimethylpentanoic acid
CID 23167562
4,4-bis(ethoxycarbonyl)hept-6-enoic acid
CID 10635887
2,2-diethylhex-5-enoic acid
CID 79006641
decanedioic acid;3-methoxyprop-1-ene
CID 175934270
4-ethenoxybut-1-en-2-ol
CID 58734855

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(ethenoxymethyl)pentanedioic acid?
The IUPAC name of 2,2-bis(ethenoxymethyl)pentanedioic acid (CID 90257136) is 2,2-bis(ethenoxymethyl)pentanedioic acid.
What is the SMILES notation for 2,2-bis(ethenoxymethyl)pentanedioic acid?
The canonical SMILES for 2,2-bis(ethenoxymethyl)pentanedioic acid is C=COCC(CCC(=O)O)(COC=C)C(=O)O.
What is the InChIKey of 2,2-bis(ethenoxymethyl)pentanedioic acid?
The InChIKey is MUUNFXJJKBXYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O6/c1-3-16-7-11(10(14)15,8-17-4-2)6-5-9(12)13/h3-4H,1-2,5-8H2,(H,12,13)(H,14,15).
What are the key properties of 2,2-bis(ethenoxymethyl)pentanedioic acid?
2,2-bis(ethenoxymethyl)pentanedioic acid has a molecular weight of 244.24 g/mol, XLogP of 1.24, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(ethenoxymethyl)pentanedioic acid is sourced from PubChem (CID 90257136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).