2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-oxobutanoate

C23H40O12 — CID 58340248

IUPAC2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-oxobutanoate
SMILESC=CC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOC(=O)CC(C)=O
InChIInChI=1S/C23H40O12/c1-3-22(25)34-18-16-32-14-12-30-10-8-28-6-4-27-5-7-29-9-11-31-13-15-33-17-19-35-23(26)20-21(2)24/h3H,1,4-20H2,2H3
InChIKeyJNNPMIABVQXPJC-UHFFFAOYSA-N
MW508.56 g/mol
LogP0.35
Rot. Bonds27

About 2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-oxobutanoate

2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-oxobutanoate (PubChem CID 58340248) has the molecular formula C23H40O12 and a molecular weight of 508.56 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-oxobutanoate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-oxobutanoate
PubChem CID58340248
Molecular FormulaC23H40O12
Molecular Weight508.56 g/mol
Exact Mass508.25
IUPAC Name2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-oxobutanoate
SMILESC=CC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOC(=O)CC(C)=O
InChIInChI=1S/C23H40O12/c1-3-22(25)34-18-16-32-14-12-30-10-8-28-6-4-27-5-7-29-9-11-31-13-15-33-17-19-35-23(26)20-21(2)24/h3H,1,4-20H2,2H3
InChIKeyJNNPMIABVQXPJC-UHFFFAOYSA-N
XLogP0.35
TPSA134.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds27
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.56
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-oxobutanoate?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-oxobutanoate (CID 58340248) is 2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-oxobutanoate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-oxobutanoate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-oxobutanoate is C=CC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOC(=O)CC(C)=O.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-oxobutanoate?
The InChIKey is JNNPMIABVQXPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O12/c1-3-22(25)34-18-16-32-14-12-30-10-8-28-6-4-27-5-7-29-9-11-31-13-15-33-17-19-35-23(26)20-21(2)24/h3H,1,4-20H2,2H3.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-oxobutanoate?
2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-oxobutanoate has a molecular weight of 508.56 g/mol, XLogP of 0.35, 27 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-oxobutanoate is sourced from PubChem (CID 58340248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).