curium;propan-2-yl 2-[2-[dihydroxymethyl-[dimethyl(trimethylsilyloxy)silyl]-λ3-iodanyl]ethoxy]acetate

C13H31CmIO6Si2 — CID 58858704

IUPACcurium;propan-2-yl 2-[2-[dihydroxymethyl-[dimethyl(trimethylsilyloxy)silyl]-λ3-iodanyl]ethoxy]acetate
SMILESCC(C)OC(=O)COCCI(C(O)O)[Si](C)(C)O[Si](C)(C)C.[Cm]
InChIInChI=1S/C13H31IO6Si2.Cm/c1-11(2)19-12(15)10-18-9-8-14(13(16)17)22(6,7)20-21(3,4)5;/h11,13,16-17H,8-10H2,1-7H3;
InChIKeyHOVAZESJZOGQSN-UHFFFAOYSA-N
MW713.46 g/mol
LogP2.28
Rot. Bonds10

About curium;propan-2-yl 2-[2-[dihydroxymethyl-[dimethyl(trimethylsilyloxy)silyl]-λ3-iodanyl]ethoxy]acetate

curium;propan-2-yl 2-[2-[dihydroxymethyl-[dimethyl(trimethylsilyloxy)silyl]-λ3-iodanyl]ethoxy]acetate (PubChem CID 58858704) has the molecular formula C13H31CmIO6Si2 and a molecular weight of 713.46 g/mol. Its IUPAC name is curium;propan-2-yl 2-[2-[dihydroxymethyl-[dimethyl(trimethylsilyloxy)silyl]-λ3-iodanyl]ethoxy]acetate.

Molecular Properties

Compound Namecurium;propan-2-yl 2-[2-[dihydroxymethyl-[dimethyl(trimethylsilyloxy)silyl]-λ3-iodanyl]ethoxy]acetate
PubChem CID58858704
Molecular FormulaC13H31CmIO6Si2
Molecular Weight713.46 g/mol
Exact Mass709.13
IUPAC Namecurium;propan-2-yl 2-[2-[dihydroxymethyl-[dimethyl(trimethylsilyloxy)silyl]-λ3-iodanyl]ethoxy]acetate
SMILESCC(C)OC(=O)COCCI(C(O)O)[Si](C)(C)O[Si](C)(C)C.[Cm]
InChIInChI=1S/C13H31IO6Si2.Cm/c1-11(2)19-12(15)10-18-9-8-14(13(16)17)22(6,7)20-21(3,4)5;/h11,13,16-17H,8-10H2,1-7H3;
InChIKeyHOVAZESJZOGQSN-UHFFFAOYSA-N
XLogP2.28
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500713.46
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze curium;propan-2-yl 2-[2-[dihydroxymethyl-[dimethyl(trimethylsilyloxy)silyl]-λ3-iodanyl]ethoxy]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of curium;propan-2-yl 2-[2-[dihydroxymethyl-[dimethyl(trimethylsilyloxy)silyl]-λ3-iodanyl]ethoxy]acetate?
The IUPAC name of curium;propan-2-yl 2-[2-[dihydroxymethyl-[dimethyl(trimethylsilyloxy)silyl]-λ3-iodanyl]ethoxy]acetate (CID 58858704) is curium;propan-2-yl 2-[2-[dihydroxymethyl-[dimethyl(trimethylsilyloxy)silyl]-λ3-iodanyl]ethoxy]acetate.
What is the SMILES notation for curium;propan-2-yl 2-[2-[dihydroxymethyl-[dimethyl(trimethylsilyloxy)silyl]-λ3-iodanyl]ethoxy]acetate?
The canonical SMILES for curium;propan-2-yl 2-[2-[dihydroxymethyl-[dimethyl(trimethylsilyloxy)silyl]-λ3-iodanyl]ethoxy]acetate is CC(C)OC(=O)COCCI(C(O)O)[Si](C)(C)O[Si](C)(C)C.[Cm].
What is the InChIKey of curium;propan-2-yl 2-[2-[dihydroxymethyl-[dimethyl(trimethylsilyloxy)silyl]-λ3-iodanyl]ethoxy]acetate?
The InChIKey is HOVAZESJZOGQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31IO6Si2.Cm/c1-11(2)19-12(15)10-18-9-8-14(13(16)17)22(6,7)20-21(3,4)5;/h11,13,16-17H,8-10H2,1-7H3;.
What are the key properties of curium;propan-2-yl 2-[2-[dihydroxymethyl-[dimethyl(trimethylsilyloxy)silyl]-λ3-iodanyl]ethoxy]acetate?
curium;propan-2-yl 2-[2-[dihydroxymethyl-[dimethyl(trimethylsilyloxy)silyl]-λ3-iodanyl]ethoxy]acetate has a molecular weight of 713.46 g/mol, XLogP of 2.28, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for curium;propan-2-yl 2-[2-[dihydroxymethyl-[dimethyl(trimethylsilyloxy)silyl]-λ3-iodanyl]ethoxy]acetate is sourced from PubChem (CID 58858704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).