acetic acid;8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one;uranium(2+)

C30H44N2O7U — CID 170976076

IUPACacetic acid;8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one;uranium(2+)
SMILES[CH2-]C(=O)O.[CH2-]CN1CCN(CCOCCOC2CCC3(CC2)OC(=O)C(c2c(C)cc(C)cc2C)=C3O)CC1.[U+2]
InChIInChI=1S/C28H41N2O5.C2H3O2.U/c1-5-29-10-12-30(13-11-29)14-15-33-16-17-34-23-6-8-28(9-7-23)26(31)25(27(32)35-28)24-21(3)18-20(2)19-22(24)4;1-2(3)4;/h18-19,23,31H,1,5-17H2,2-4H3;1H2,(H,3,4);/q2*-1;+2
InChIKeySZUXJYZXVXDMHP-UHFFFAOYSA-N
MW782.72 g/mol
LogP3.51
Rot. Bonds9

About acetic acid;8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one;uranium(2+)

acetic acid;8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one;uranium(2+) (PubChem CID 170976076) has the molecular formula C30H44N2O7U and a molecular weight of 782.72 g/mol. Its IUPAC name is acetic acid;8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one;uranium(2+).

Molecular Properties

Compound Nameacetic acid;8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one;uranium(2+)
PubChem CID170976076
Molecular FormulaC30H44N2O7U
Molecular Weight782.72 g/mol
Exact Mass782.37
IUPAC Nameacetic acid;8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one;uranium(2+)
SMILES[CH2-]C(=O)O.[CH2-]CN1CCN(CCOCCOC2CCC3(CC2)OC(=O)C(c2c(C)cc(C)cc2C)=C3O)CC1.[U+2]
InChIInChI=1S/C28H41N2O5.C2H3O2.U/c1-5-29-10-12-30(13-11-29)14-15-33-16-17-34-23-6-8-28(9-7-23)26(31)25(27(32)35-28)24-21(3)18-20(2)19-22(24)4;1-2(3)4;/h18-19,23,31H,1,5-17H2,2-4H3;1H2,(H,3,4);/q2*-1;+2
InChIKeySZUXJYZXVXDMHP-UHFFFAOYSA-N
XLogP3.51
TPSA108.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500782.72
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetic acid;8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one;uranium(2+)?
The IUPAC name of acetic acid;8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one;uranium(2+) (CID 170976076) is acetic acid;8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one;uranium(2+).
What is the SMILES notation for acetic acid;8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one;uranium(2+)?
The canonical SMILES for acetic acid;8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one;uranium(2+) is [CH2-]C(=O)O.[CH2-]CN1CCN(CCOCCOC2CCC3(CC2)OC(=O)C(c2c(C)cc(C)cc2C)=C3O)CC1.[U+2].
What is the InChIKey of acetic acid;8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one;uranium(2+)?
The InChIKey is SZUXJYZXVXDMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N2O5.C2H3O2.U/c1-5-29-10-12-30(13-11-29)14-15-33-16-17-34-23-6-8-28(9-7-23)26(31)25(27(32)35-28)24-21(3)18-20(2)19-22(24)4;1-2(3)4;/h18-19,23,31H,1,5-17H2,2-4H3;1H2,(H,3,4);/q2*-1;+2.
What are the key properties of acetic acid;8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one;uranium(2+)?
acetic acid;8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one;uranium(2+) has a molecular weight of 782.72 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one;uranium(2+) is sourced from PubChem (CID 170976076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).