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

C14H26NO2Y5- — CID 161369267

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

but-1-ene;[(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]azanide;pentakis(yttrium) (PubChem CID 161369267) has the molecular formula C14H26NO2Y5- and a molecular weight of 684.90 g/mol. Its IUPAC name is but-1-ene;[(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]azanide;pentakis(yttrium).

Molecular Properties

• Compound Name: but-1-ene;[(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]azanide;pentakis(yttrium)
• PubChem CID: 161369267
• Molecular Formula: C14H26NO2Y5-
• Molecular Weight: 684.90 g/mol
• Exact Mass: 684.73
• IUPAC Name: but-1-ene;[(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]azanide;pentakis(yttrium)
• SMILES: C=CCC.C=C[C@H]([NH-])[C@@H]1OC(C)(C)O[C@@H]1CC.[Y].[Y].[Y].[Y].[Y]
• InChI: InChI=1S/C10H18NO2.C4H8.5Y/c1-5-7(11)9-8(6-2)12-10(3,4)13-9;1-3-4-2;;;;;/h5,7-9,11H,1,6H2,2-4H3;3H,1,4H2,2H3;;;;;/q-1;;;;;;/t7-,8+,9-;;;;;;/m0....../s1
• InChIKey: ISUVRQZFBJBKMO-PLUBVUBASA-N
• XLogP: 4.09
• TPSA: 42.26 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	684.90
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of but-1-ene;[(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]azanide;pentakis(yttrium)?

The IUPAC name of but-1-ene;[(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]azanide;pentakis(yttrium) (CID 161369267) is but-1-ene;[(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]azanide;pentakis(yttrium).

What is the SMILES notation for but-1-ene;[(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]azanide;pentakis(yttrium)?

The canonical SMILES for but-1-ene;[(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]azanide;pentakis(yttrium) is C=CCC.C=C[C@H]([NH-])[C@@H]1OC(C)(C)O[C@@H]1CC.[Y].[Y].[Y].[Y].[Y].

What is the InChIKey of but-1-ene;[(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]azanide;pentakis(yttrium)?

The InChIKey is ISUVRQZFBJBKMO-PLUBVUBASA-N. The full InChI is InChI=1S/C10H18NO2.C4H8.5Y/c1-5-7(11)9-8(6-2)12-10(3,4)13-9;1-3-4-2;;;;;/h5,7-9,11H,1,6H2,2-4H3;3H,1,4H2,2H3;;;;;/q-1;;;;;;/t7-,8+,9-;;;;;;/m0....../s1.

What are the key properties of but-1-ene;[(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]azanide;pentakis(yttrium)?

but-1-ene;[(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]azanide;pentakis(yttrium) has a molecular weight of 684.90 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for but-1-ene;[(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]azanide;pentakis(yttrium) is sourced from PubChem (CID 161369267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).