methanidyl 2-methylbutanoate;2-methylpropane;yttrium

C10H20O2Y-2 — CID 58944114

IUPACmethanidyl 2-methylbutanoate;2-methylpropane;yttrium
SMILESC[C-](C)C.[CH2-]OC(=O)C(C)CC.[Y]
InChIInChI=1S/C6H11O2.C4H9.Y/c1-4-5(2)6(7)8-3;1-4(2)3;/h5H,3-4H2,1-2H3;1-3H3;/q2*-1;
InChIKeyOGHMWMLTPRAVGT-UHFFFAOYSA-N
MW261.17 g/mol
LogP2.99
Rot. Bonds2

About methanidyl 2-methylbutanoate;2-methylpropane;yttrium

methanidyl 2-methylbutanoate;2-methylpropane;yttrium (PubChem CID 58944114) has the molecular formula C10H20O2Y-2 and a molecular weight of 261.17 g/mol. Its IUPAC name is methanidyl 2-methylbutanoate;2-methylpropane;yttrium.

Molecular Properties

Compound Namemethanidyl 2-methylbutanoate;2-methylpropane;yttrium
PubChem CID58944114
Molecular FormulaC10H20O2Y-2
Molecular Weight261.17 g/mol
Exact Mass261.05
IUPAC Namemethanidyl 2-methylbutanoate;2-methylpropane;yttrium
SMILESC[C-](C)C.[CH2-]OC(=O)C(C)CC.[Y]
InChIInChI=1S/C6H11O2.C4H9.Y/c1-4-5(2)6(7)8-3;1-4(2)3;/h5H,3-4H2,1-2H3;1-3H3;/q2*-1;
InChIKeyOGHMWMLTPRAVGT-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
ethane;ethyl 2-methylbutanoate
CID 144747106
propyl (2R)-2-methylbutanoate
CID 86306230
CID 173066748
CID 173066748
azanide;iridium;2-methylbutanoyloxyazanide
CID 88828500
methyl 2-methylbutanoate;methyl 2-methylpropanoate
CID 175395072
[2,4-bis(3-hydroxypentan-3-yl)cyclopentyl] 2-methylbutanoate
CID 121423028
methane;2-methoxyethyl 2-methylbutanoate
CID 165084023
2-methylpentan-3-yl 2-methylbutanoate
CID 118880075
isocyanomethyl 2-methylbutanoate
CID 59266759
methylsilylmethyl 2-methylbutanoate
CID 159920193

Frequently Asked Questions

What is the IUPAC name of methanidyl 2-methylbutanoate;2-methylpropane;yttrium?
The IUPAC name of methanidyl 2-methylbutanoate;2-methylpropane;yttrium (CID 58944114) is methanidyl 2-methylbutanoate;2-methylpropane;yttrium.
What is the SMILES notation for methanidyl 2-methylbutanoate;2-methylpropane;yttrium?
The canonical SMILES for methanidyl 2-methylbutanoate;2-methylpropane;yttrium is C[C-](C)C.[CH2-]OC(=O)C(C)CC.[Y].
What is the InChIKey of methanidyl 2-methylbutanoate;2-methylpropane;yttrium?
The InChIKey is OGHMWMLTPRAVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O2.C4H9.Y/c1-4-5(2)6(7)8-3;1-4(2)3;/h5H,3-4H2,1-2H3;1-3H3;/q2*-1;.
What are the key properties of methanidyl 2-methylbutanoate;2-methylpropane;yttrium?
methanidyl 2-methylbutanoate;2-methylpropane;yttrium has a molecular weight of 261.17 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl 2-methylbutanoate;2-methylpropane;yttrium is sourced from PubChem (CID 58944114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).