[(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enyl]azanide;pentakis(yttrium)

C12H22NO2Y5- — CID 147197225

IUPAC[(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enyl]azanide;pentakis(yttrium)
SMILESCCC=C[C@H]([NH-])[C@@H]1OC(C)(C)O[C@@H]1CC.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C12H22NO2.5Y/c1-5-7-8-9(13)11-10(6-2)14-12(3,4)15-11;;;;;/h7-11,13H,5-6H2,1-4H3;;;;;/q-1;;;;;/t9-,10+,11-;;;;;/m0...../s1
InChIKeyUGQLMHRUBHPDHO-UKYFUKAJSA-N
MW656.84 g/mol
LogP3.29
Rot. Bonds4

About [(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enyl]azanide;pentakis(yttrium)

[(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enyl]azanide;pentakis(yttrium) (PubChem CID 147197225) has the molecular formula C12H22NO2Y5- and a molecular weight of 656.84 g/mol. Its IUPAC name is [(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enyl]azanide;pentakis(yttrium).

Molecular Properties

Compound Name[(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enyl]azanide;pentakis(yttrium)
PubChem CID147197225
Molecular FormulaC12H22NO2Y5-
Molecular Weight656.84 g/mol
Exact Mass656.69
IUPAC Name[(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enyl]azanide;pentakis(yttrium)
SMILESCCC=C[C@H]([NH-])[C@@H]1OC(C)(C)O[C@@H]1CC.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C12H22NO2.5Y/c1-5-7-8-9(13)11-10(6-2)14-12(3,4)15-11;;;;;/h7-11,13H,5-6H2,1-4H3;;;;;/q-1;;;;;/t9-,10+,11-;;;;;/m0...../s1
InChIKeyUGQLMHRUBHPDHO-UKYFUKAJSA-N
XLogP3.29
TPSA42.26 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500656.84
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enyl]azanide;pentakis(yttrium) 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 [(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enyl]azanide;pentakis(yttrium)?
The IUPAC name of [(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enyl]azanide;pentakis(yttrium) (CID 147197225) is [(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enyl]azanide;pentakis(yttrium).
What is the SMILES notation for [(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enyl]azanide;pentakis(yttrium)?
The canonical SMILES for [(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enyl]azanide;pentakis(yttrium) is CCC=C[C@H]([NH-])[C@@H]1OC(C)(C)O[C@@H]1CC.[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of [(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enyl]azanide;pentakis(yttrium)?
The InChIKey is UGQLMHRUBHPDHO-UKYFUKAJSA-N. The full InChI is InChI=1S/C12H22NO2.5Y/c1-5-7-8-9(13)11-10(6-2)14-12(3,4)15-11;;;;;/h7-11,13H,5-6H2,1-4H3;;;;;/q-1;;;;;/t9-,10+,11-;;;;;/m0...../s1.
What are the key properties of [(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enyl]azanide;pentakis(yttrium)?
[(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enyl]azanide;pentakis(yttrium) has a molecular weight of 656.84 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enyl]azanide;pentakis(yttrium) is sourced from PubChem (CID 147197225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).