2,3-dimethylbutan-2-yl 2-methylbutanoate;yttrium(3+)

C11H21O2Y+2 — CID 18731035

IUPAC2,3-dimethylbutan-2-yl 2-methylbutanoate;yttrium(3+)
SMILESCC[C-](C)C(=O)OC(C)(C)C(C)C.[Y+3]
InChIInChI=1S/C11H21O2.Y/c1-7-9(4)10(12)13-11(5,6)8(2)3;/h8H,7H2,1-6H3;/q-1;+3
InChIKeyZEQZRPPWAGAXJC-UHFFFAOYSA-N
MW274.19 g/mol
LogP2.97
Rot. Bonds4

About 2,3-dimethylbutan-2-yl 2-methylbutanoate;yttrium(3+)

2,3-dimethylbutan-2-yl 2-methylbutanoate;yttrium(3+) (PubChem CID 18731035) has the molecular formula C11H21O2Y+2 and a molecular weight of 274.19 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yl 2-methylbutanoate;yttrium(3+).

Molecular Properties

Compound Name2,3-dimethylbutan-2-yl 2-methylbutanoate;yttrium(3+)
PubChem CID18731035
Molecular FormulaC11H21O2Y+2
Molecular Weight274.19 g/mol
Exact Mass274.06
IUPAC Name2,3-dimethylbutan-2-yl 2-methylbutanoate;yttrium(3+)
SMILESCC[C-](C)C(=O)OC(C)(C)C(C)C.[Y+3]
InChIInChI=1S/C11H21O2.Y/c1-7-9(4)10(12)13-11(5,6)8(2)3;/h8H,7H2,1-6H3;/q-1;+3
InChIKeyZEQZRPPWAGAXJC-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.97
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

2,4,6-trimethylheptan-4-yl 2-methylbutanoate;yttrium
CID 59965814
2,3-dimethylbutan-2-yl 2-methylbutanoate;2-methylbutan-2-yl 2-methylbutanoate;3-methylpentan-3-yl 2-methylbutanoate;2,2,3,4,4-pentamethylpentan-3-yl 2-methylbutanoate;2,3,3-trimethylbutan-2-yl 2-methylbutanoate;2,3,4-trimethylpentan-3-yl 2-methylbutanoate;hexakis(yttrium)
CID 159690444
2,3-dimethylbutan-2-yl carbamate
CID 20975410
2,3-dimethylbutan-2-yl 2-ethyl-4,4-dimethylpentanoate
CID 123149081
[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxopropyl] 2-methylbutanoate;rubidium(1+)
CID 59360543
2,3-dimethylbutan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 90329075
2-aminobutan-2-yl (2S)-2-amino-3-methylbutanoate
CID 139681730
2,3-dimethylbutan-2-yl 3-methoxy-5-oxohept-2-enoate
CID 91171427
(Z)-4-(2,3-dimethylbutan-2-yloxy)-4-oxobut-2-enoic acid
CID 88826298
3-methylpentan-3-yl 2-methylpropanoate
CID 59491986
ethane;2-ethoxy-2,3-dimethylbutane
CID 169190788
tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate
CID 174039144

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-yl 2-methylbutanoate;yttrium(3+)?
The IUPAC name of 2,3-dimethylbutan-2-yl 2-methylbutanoate;yttrium(3+) (CID 18731035) is 2,3-dimethylbutan-2-yl 2-methylbutanoate;yttrium(3+).
What is the SMILES notation for 2,3-dimethylbutan-2-yl 2-methylbutanoate;yttrium(3+)?
The canonical SMILES for 2,3-dimethylbutan-2-yl 2-methylbutanoate;yttrium(3+) is CC[C-](C)C(=O)OC(C)(C)C(C)C.[Y+3].
What is the InChIKey of 2,3-dimethylbutan-2-yl 2-methylbutanoate;yttrium(3+)?
The InChIKey is ZEQZRPPWAGAXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O2.Y/c1-7-9(4)10(12)13-11(5,6)8(2)3;/h8H,7H2,1-6H3;/q-1;+3.
What are the key properties of 2,3-dimethylbutan-2-yl 2-methylbutanoate;yttrium(3+)?
2,3-dimethylbutan-2-yl 2-methylbutanoate;yttrium(3+) has a molecular weight of 274.19 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yl 2-methylbutanoate;yttrium(3+) is sourced from PubChem (CID 18731035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).