2-methanidyl-2-methylpropane;2-(3-methylbutoxy)ethanol;yttrium

C12H27O2Y- — CID 166008404

IUPAC2-methanidyl-2-methylpropane;2-(3-methylbutoxy)ethanol;yttrium
SMILESCC(C)CCOCCO.[CH2-]C(C)(C)C.[Y]
InChIInChI=1S/C7H16O2.C5H11.Y/c1-7(2)3-5-9-6-4-8;1-5(2,3)4;/h7-8H,3-6H2,1-2H3;1H2,2-4H3;/q;-1;
InChIKeyUQVFYVMLFJSOSB-UHFFFAOYSA-N
MW292.25 g/mol
LogP2.91
Rot. Bonds5

About 2-methanidyl-2-methylpropane;2-(3-methylbutoxy)ethanol;yttrium

2-methanidyl-2-methylpropane;2-(3-methylbutoxy)ethanol;yttrium (PubChem CID 166008404) has the molecular formula C12H27O2Y- and a molecular weight of 292.25 g/mol. Its IUPAC name is 2-methanidyl-2-methylpropane;2-(3-methylbutoxy)ethanol;yttrium.

Molecular Properties

Compound Name2-methanidyl-2-methylpropane;2-(3-methylbutoxy)ethanol;yttrium
PubChem CID166008404
Molecular FormulaC12H27O2Y-
Molecular Weight292.25 g/mol
Exact Mass292.11
IUPAC Name2-methanidyl-2-methylpropane;2-(3-methylbutoxy)ethanol;yttrium
SMILESCC(C)CCOCCO.[CH2-]C(C)(C)C.[Y]
InChIInChI=1S/C7H16O2.C5H11.Y/c1-7(2)3-5-9-6-4-8;1-5(2,3)4;/h7-8H,3-6H2,1-2H3;1H2,2-4H3;/q;-1;
InChIKeyUQVFYVMLFJSOSB-UHFFFAOYSA-N
XLogP2.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428229
2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
CID 87749078
2-[3-[3-(3-methylbutoxy)propyldisulfanyl]propoxy]ethanol
CID 177289189
3-methyl-5-(3-methylbutoxy)pentan-1-ol
CID 175419850
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
2-(3,5,5-trimethylhexoxy)ethanol
CID 54373855
2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol
CID 545734
2-[2-[2-[2-[2-(3,7-dimethyloctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102323659
1-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylhexan-2-ol
CID 140523651
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
6-methyl-1-(3-methylbutoxy)heptan-3-ol
CID 115001714

Frequently Asked Questions

What is the IUPAC name of 2-methanidyl-2-methylpropane;2-(3-methylbutoxy)ethanol;yttrium?
The IUPAC name of 2-methanidyl-2-methylpropane;2-(3-methylbutoxy)ethanol;yttrium (CID 166008404) is 2-methanidyl-2-methylpropane;2-(3-methylbutoxy)ethanol;yttrium.
What is the SMILES notation for 2-methanidyl-2-methylpropane;2-(3-methylbutoxy)ethanol;yttrium?
The canonical SMILES for 2-methanidyl-2-methylpropane;2-(3-methylbutoxy)ethanol;yttrium is CC(C)CCOCCO.[CH2-]C(C)(C)C.[Y].
What is the InChIKey of 2-methanidyl-2-methylpropane;2-(3-methylbutoxy)ethanol;yttrium?
The InChIKey is UQVFYVMLFJSOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2.C5H11.Y/c1-7(2)3-5-9-6-4-8;1-5(2,3)4;/h7-8H,3-6H2,1-2H3;1H2,2-4H3;/q;-1;.
What are the key properties of 2-methanidyl-2-methylpropane;2-(3-methylbutoxy)ethanol;yttrium?
2-methanidyl-2-methylpropane;2-(3-methylbutoxy)ethanol;yttrium has a molecular weight of 292.25 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidyl-2-methylpropane;2-(3-methylbutoxy)ethanol;yttrium is sourced from PubChem (CID 166008404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).