ethane;2-[2-[3-(hexan-2-ylamino)-3-oxopropoxy]ethoxy]ethylazanide;methanol;4-methylcyclopenten-1-ol;2-methylpyrrolidine-1-carbaldehyde;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide;yttrium

C40H70N5O7SY- — CID 164924889

About ethane;2-[2-[3-(hexan-2-ylamino)-3-oxopropoxy]ethoxy]ethylazanide;methanol;4-methylcyclopenten-1-ol;2-methylpyrrolidine-1-carbaldehyde;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide;yttrium

ethane;2-[2-[3-(hexan-2-ylamino)-3-oxopropoxy]ethoxy]ethylazanide;methanol;4-methylcyclopenten-1-ol;2-methylpyrrolidine-1-carbaldehyde;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide;yttrium (PubChem CID 164924889) has the molecular formula C40H70N5O7SY- and a molecular weight of 854.00 g/mol. Its IUPAC name is ethane;2-[2-[3-(hexan-2-ylamino)-3-oxopropoxy]ethoxy]ethylazanide;methanol;4-methylcyclopenten-1-ol;2-methylpyrrolidine-1-carbaldehyde;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide;yttrium.

Molecular Properties

• Compound Name: ethane;2-[2-[3-(hexan-2-ylamino)-3-oxopropoxy]ethoxy]ethylazanide;methanol;4-methylcyclopenten-1-ol;2-methylpyrrolidine-1-carbaldehyde;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide;yttrium
• PubChem CID: 164924889
• Molecular Formula: C40H70N5O7SY-
• Molecular Weight: 854.00 g/mol
• Exact Mass: 853.41
• IUPAC Name: ethane;2-[2-[3-(hexan-2-ylamino)-3-oxopropoxy]ethoxy]ethylazanide;methanol;4-methylcyclopenten-1-ol;2-methylpyrrolidine-1-carbaldehyde;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide;yttrium
• SMILES: CC.CC1CC=C(O)C1.CC1CCCN1C=O.CCCCC(C)NC(=O)CCOCCOCC[NH-].CO.Cc1ncsc1-c1ccc(CNC=O)cc1.[Y]
• InChI: InChI=1S/C13H27N2O3.C12H12N2OS.C6H11NO.C6H10O.C2H6.CH4O.Y/c1-3-4-5-12(2)15-13(16)6-8-17-10-11-18-9-7-14;1-9-12(16-8-14-9)11-4-2-10(3-5-11)6-13-7-15;1-6-3-2-4-7(6)5-8;1-5-2-3-6(7)4-5;2*1-2;/h12,14H,3-11H2,1-2H3,(H,15,16);2-5,7-8H,6H2,1H3,(H,13,15);5-6H,2-4H2,1H3;3,5,7H,2,4H2,1H3;1-2H3;2H,1H3;/q-1
• InChIKey: FXKRAFDFIWDZBO-UHFFFAOYSA-N
• XLogP: 7.64
• TPSA: 174.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.00
LogP ≤ 5	7.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-[3-(hexan-2-ylamino)-3-oxopropoxy]ethoxy]ethylazanide;methanol;4-methylcyclopenten-1-ol;2-methylpyrrolidine-1-carbaldehyde;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide;yttrium?

The IUPAC name of ethane;2-[2-[3-(hexan-2-ylamino)-3-oxopropoxy]ethoxy]ethylazanide;methanol;4-methylcyclopenten-1-ol;2-methylpyrrolidine-1-carbaldehyde;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide;yttrium (CID 164924889) is ethane;2-[2-[3-(hexan-2-ylamino)-3-oxopropoxy]ethoxy]ethylazanide;methanol;4-methylcyclopenten-1-ol;2-methylpyrrolidine-1-carbaldehyde;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide;yttrium.

What is the SMILES notation for ethane;2-[2-[3-(hexan-2-ylamino)-3-oxopropoxy]ethoxy]ethylazanide;methanol;4-methylcyclopenten-1-ol;2-methylpyrrolidine-1-carbaldehyde;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide;yttrium?

The canonical SMILES for ethane;2-[2-[3-(hexan-2-ylamino)-3-oxopropoxy]ethoxy]ethylazanide;methanol;4-methylcyclopenten-1-ol;2-methylpyrrolidine-1-carbaldehyde;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide;yttrium is CC.CC1CC=C(O)C1.CC1CCCN1C=O.CCCCC(C)NC(=O)CCOCCOCC[NH-].CO.Cc1ncsc1-c1ccc(CNC=O)cc1.[Y].

What is the InChIKey of ethane;2-[2-[3-(hexan-2-ylamino)-3-oxopropoxy]ethoxy]ethylazanide;methanol;4-methylcyclopenten-1-ol;2-methylpyrrolidine-1-carbaldehyde;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide;yttrium?

The InChIKey is FXKRAFDFIWDZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N2O3.C12H12N2OS.C6H11NO.C6H10O.C2H6.CH4O.Y/c1-3-4-5-12(2)15-13(16)6-8-17-10-11-18-9-7-14;1-9-12(16-8-14-9)11-4-2-10(3-5-11)6-13-7-15;1-6-3-2-4-7(6)5-8;1-5-2-3-6(7)4-5;2*1-2;/h12,14H,3-11H2,1-2H3,(H,15,16);2-5,7-8H,6H2,1H3,(H,13,15);5-6H,2-4H2,1H3;3,5,7H,2,4H2,1H3;1-2H3;2H,1H3;/q-1;;;;;;.

What are the key properties of ethane;2-[2-[3-(hexan-2-ylamino)-3-oxopropoxy]ethoxy]ethylazanide;methanol;4-methylcyclopenten-1-ol;2-methylpyrrolidine-1-carbaldehyde;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide;yttrium?

ethane;2-[2-[3-(hexan-2-ylamino)-3-oxopropoxy]ethoxy]ethylazanide;methanol;4-methylcyclopenten-1-ol;2-methylpyrrolidine-1-carbaldehyde;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide;yttrium has a molecular weight of 854.00 g/mol, XLogP of 7.64, 17 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-[2-[3-(hexan-2-ylamino)-3-oxopropoxy]ethoxy]ethylazanide;methanol;4-methylcyclopenten-1-ol;2-methylpyrrolidine-1-carbaldehyde;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide;yttrium is sourced from PubChem (CID 164924889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).