(Z)-but-2-enedioic acid;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol

C13H24O9 — CID 88505451

IUPAC(Z)-but-2-enedioic acid;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol
SMILESCOCCOCCOCCOCCO.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C9H20O5.C4H4O4/c1-11-4-5-13-8-9-14-7-6-12-3-2-10;5-3(6)1-2-4(7)8/h10H,2-9H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyUUFNQDNUNWDQEM-BTJKTKAUSA-N
MW324.33 g/mol
LogP-0.61
Rot. Bonds13

About (Z)-but-2-enedioic acid;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol

(Z)-but-2-enedioic acid;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol (PubChem CID 88505451) has the molecular formula C13H24O9 and a molecular weight of 324.33 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol
PubChem CID88505451
Molecular FormulaC13H24O9
Molecular Weight324.33 g/mol
Exact Mass324.14
IUPAC Name(Z)-but-2-enedioic acid;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol
SMILESCOCCOCCOCCOCCO.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C9H20O5.C4H4O4/c1-11-4-5-13-8-9-14-7-6-12-3-2-10;5-3(6)1-2-4(7)8/h10H,2-9H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyUUFNQDNUNWDQEM-BTJKTKAUSA-N
XLogP-0.61
TPSA131.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (Z)-but-2-enedioic acid;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxyethanol;2-(2-methoxyethoxy)ethanol
CID 87975598
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;hydroiodide
CID 88616948
(Z)-4-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-enoic acid
CID 88739197
but-2-enedioic acid;1-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 163538655
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
2-hydroxypropanoic acid;2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 86606251
5-[2-(2-hydroxyethoxy)ethoxy]pent-2-enoic acid
CID 175090544
2-(2-hydroxyethoxy)ethanol;methoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane
CID 174794611
2-(2-hydroxyethoxy)ethanol;methoxyethane;2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 175424944
ethane-1,2-diol;2-methoxyethanol;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 161198801
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate
CID 89311377
ethoxyethane;2-(2-hydroxyethoxy)ethanol;2-(2-methoxyethoxy)ethanol
CID 138488183

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol?
The IUPAC name of (Z)-but-2-enedioic acid;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol (CID 88505451) is (Z)-but-2-enedioic acid;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol.
What is the SMILES notation for (Z)-but-2-enedioic acid;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol?
The canonical SMILES for (Z)-but-2-enedioic acid;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol is COCCOCCOCCOCCO.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol?
The InChIKey is UUFNQDNUNWDQEM-BTJKTKAUSA-N. The full InChI is InChI=1S/C9H20O5.C4H4O4/c1-11-4-5-13-8-9-14-7-6-12-3-2-10;5-3(6)1-2-4(7)8/h10H,2-9H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol?
(Z)-but-2-enedioic acid;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol has a molecular weight of 324.33 g/mol, XLogP of -0.61, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 88505451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).