bis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate

C20H36O12 — CID 87256441

IUPACbis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate
SMILESO=C(/C=C\C(=O)OCCOCCOCCOCCO)OCCOCCOCCOCCO
InChIInChI=1S/C20H36O12/c21-3-5-25-7-9-27-11-13-29-15-17-31-19(23)1-2-20(24)32-18-16-30-14-12-28-10-8-26-6-4-22/h1-2,21-22H,3-18H2/b2-1-
InChIKeyXRYNLPWIHAJXCO-UPHRSURJSA-N
MW468.50 g/mol
LogP-1.29
Rot. Bonds24

About bis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate

bis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate (PubChem CID 87256441) has the molecular formula C20H36O12 and a molecular weight of 468.50 g/mol. Its IUPAC name is bis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate.

Molecular Properties

Compound Namebis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate
PubChem CID87256441
Molecular FormulaC20H36O12
Molecular Weight468.50 g/mol
Exact Mass468.22
IUPAC Namebis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate
SMILESO=C(/C=C\C(=O)OCCOCCOCCOCCO)OCCOCCOCCOCCO
InChIInChI=1S/C20H36O12/c21-3-5-25-7-9-27-11-13-29-15-17-31-19(23)1-2-20(24)32-18-16-30-14-12-28-10-8-26-6-4-22/h1-2,21-22H,3-18H2/b2-1-
InChIKeyXRYNLPWIHAJXCO-UPHRSURJSA-N
XLogP-1.29
TPSA148.44 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.50
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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

(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
1-O-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] 4-O-[(methylideneamino)methyl] (E)-but-2-enedioate
CID 163700364
bis(2-hydroxyethyl) (E)-but-2-enedioate
CID 14094562
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-methylbut-2-enoate
CID 141080545
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-methylbut-2-enoate
CID 141061344
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-methylbut-2-enoate
CID 141192145
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-methylbut-2-enoate
CID 141192139
bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242
(Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoate
CID 59904350
2-[2-[2-[2-(3-chloroprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-chloroprop-2-enoate
CID 54570646
4-O-[2-[2-(4-butoxy-4-oxobut-2-enoyl)oxyethoxy]ethyl] 1-O-butyl but-2-enedioate
CID 54354439
(E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid
CID 6436495

Frequently Asked Questions

What is the IUPAC name of bis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate?
The IUPAC name of bis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate (CID 87256441) is bis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate.
What is the SMILES notation for bis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate?
The canonical SMILES for bis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate is O=C(/C=C\C(=O)OCCOCCOCCOCCO)OCCOCCOCCOCCO.
What is the InChIKey of bis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate?
The InChIKey is XRYNLPWIHAJXCO-UPHRSURJSA-N. The full InChI is InChI=1S/C20H36O12/c21-3-5-25-7-9-27-11-13-29-15-17-31-19(23)1-2-20(24)32-18-16-30-14-12-28-10-8-26-6-4-22/h1-2,21-22H,3-18H2/b2-1-.
What are the key properties of bis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate?
bis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate has a molecular weight of 468.50 g/mol, XLogP of -1.29, 24 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate is sourced from PubChem (CID 87256441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).