2,2-bis[2-(2-methoxyethoxy)-2-oxoethyl]-3-methylidenebutanedioic acid

C15H22O10 — CID 22289515

IUPAC2,2-bis[2-(2-methoxyethoxy)-2-oxoethyl]-3-methylidenebutanedioic acid
SMILESC=C(C(=O)O)C(CC(=O)OCCOC)(CC(=O)OCCOC)C(=O)O
InChIInChI=1S/C15H22O10/c1-10(13(18)19)15(14(20)21,8-11(16)24-6-4-22-2)9-12(17)25-7-5-23-3/h1,4-9H2,2-3H3,(H,18,19)(H,20,21)
InChIKeyBFZSSJFMEJVZIY-UHFFFAOYSA-N
MW362.33 g/mol
LogP-0.14
Rot. Bonds13

About 2,2-bis[2-(2-methoxyethoxy)-2-oxoethyl]-3-methylidenebutanedioic acid

2,2-bis[2-(2-methoxyethoxy)-2-oxoethyl]-3-methylidenebutanedioic acid (PubChem CID 22289515) has the molecular formula C15H22O10 and a molecular weight of 362.33 g/mol. Its IUPAC name is 2,2-bis[2-(2-methoxyethoxy)-2-oxoethyl]-3-methylidenebutanedioic acid.

Molecular Properties

Compound Name2,2-bis[2-(2-methoxyethoxy)-2-oxoethyl]-3-methylidenebutanedioic acid
PubChem CID22289515
Molecular FormulaC15H22O10
Molecular Weight362.33 g/mol
Exact Mass362.12
IUPAC Name2,2-bis[2-(2-methoxyethoxy)-2-oxoethyl]-3-methylidenebutanedioic acid
SMILESC=C(C(=O)O)C(CC(=O)OCCOC)(CC(=O)OCCOC)C(=O)O
InChIInChI=1S/C15H22O10/c1-10(13(18)19)15(14(20)21,8-11(16)24-6-4-22-2)9-12(17)25-7-5-23-3/h1,4-9H2,2-3H3,(H,18,19)(H,20,21)
InChIKeyBFZSSJFMEJVZIY-UHFFFAOYSA-N
XLogP-0.14
TPSA145.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-methylidene-2,2-bis[2-oxo-2-(2-propoxyethoxy)ethyl]butanedioic acid
CID 22289675
2-benzyl-2-[2-(2-methoxyethoxy)-2-oxoethyl]-3-methylidenebutanedioic acid
CID 22289332
2-[2-(2-ethoxyethoxy)-2-oxoethyl]-2-(2-ethoxyethyl)-3-methylidenebutanedioic acid
CID 22289026
2-(2-methoxyethyl)-3-methylidene-2-(2-oxobutyl)butanedioic acid
CID 22289074
2-(2-cyclopentyloxy-2-oxoethyl)-2-(2-methoxyethyl)-3-methylidenebutanedioic acid
CID 22289132
2,2-bis[1-(2-methoxyethoxy)-1-oxopropan-2-yl]-3-methylidenebutanedioic acid
CID 22289360
2-benzyl-2-[2-(2-methoxyethoxy)-2-oxoethyl]-3-methylidenebutanedioate
CID 22289331
2-[2-(2-methylprop-2-enoyloxy)ethyl]but-3-ene-1,2,3-tricarboxylic acid
CID 90808547
2-methoxyethyl 3-ethyl-3-methylpentanoate
CID 142740041
2-methoxyethyl acetate;2-methylprop-2-enoic acid
CID 162012493
2,2-bis(2-bromoethyl)-3-methylidenebutanedioic acid
CID 175446474
2-(2-ethoxy-2-oxoethyl)-2-(2-methoxyethyl)-3-methylidenebutanedioate
CID 22289137

Frequently Asked Questions

What is the IUPAC name of 2,2-bis[2-(2-methoxyethoxy)-2-oxoethyl]-3-methylidenebutanedioic acid?
The IUPAC name of 2,2-bis[2-(2-methoxyethoxy)-2-oxoethyl]-3-methylidenebutanedioic acid (CID 22289515) is 2,2-bis[2-(2-methoxyethoxy)-2-oxoethyl]-3-methylidenebutanedioic acid.
What is the SMILES notation for 2,2-bis[2-(2-methoxyethoxy)-2-oxoethyl]-3-methylidenebutanedioic acid?
The canonical SMILES for 2,2-bis[2-(2-methoxyethoxy)-2-oxoethyl]-3-methylidenebutanedioic acid is C=C(C(=O)O)C(CC(=O)OCCOC)(CC(=O)OCCOC)C(=O)O.
What is the InChIKey of 2,2-bis[2-(2-methoxyethoxy)-2-oxoethyl]-3-methylidenebutanedioic acid?
The InChIKey is BFZSSJFMEJVZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O10/c1-10(13(18)19)15(14(20)21,8-11(16)24-6-4-22-2)9-12(17)25-7-5-23-3/h1,4-9H2,2-3H3,(H,18,19)(H,20,21).
What are the key properties of 2,2-bis[2-(2-methoxyethoxy)-2-oxoethyl]-3-methylidenebutanedioic acid?
2,2-bis[2-(2-methoxyethoxy)-2-oxoethyl]-3-methylidenebutanedioic acid has a molecular weight of 362.33 g/mol, XLogP of -0.14, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[2-(2-methoxyethoxy)-2-oxoethyl]-3-methylidenebutanedioic acid is sourced from PubChem (CID 22289515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).