2,2-dimethylpropyl butanoate;yttrium

C9H17O2Y- — CID 58176061

IUPAC2,2-dimethylpropyl butanoate;yttrium
SMILESC[CH-]CC(=O)OCC(C)(C)C.[Y]
InChIInChI=1S/C9H17O2.Y/c1-5-6-8(10)11-7-9(2,3)4;/h5H,6-7H2,1-4H3;/q-1;
InChIKeyJOESGXLCUMANKS-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.19
Rot. Bonds3

About 2,2-dimethylpropyl butanoate;yttrium

2,2-dimethylpropyl butanoate;yttrium (PubChem CID 58176061) has the molecular formula C9H17O2Y- and a molecular weight of 246.14 g/mol. Its IUPAC name is 2,2-dimethylpropyl butanoate;yttrium.

Molecular Properties

Compound Name2,2-dimethylpropyl butanoate;yttrium
PubChem CID58176061
Molecular FormulaC9H17O2Y-
Molecular Weight246.14 g/mol
Exact Mass246.03
IUPAC Name2,2-dimethylpropyl butanoate;yttrium
SMILESC[CH-]CC(=O)OCC(C)(C)C.[Y]
InChIInChI=1S/C9H17O2.Y/c1-5-6-8(10)11-7-9(2,3)4;/h5H,6-7H2,1-4H3;/q-1;
InChIKeyJOESGXLCUMANKS-UHFFFAOYSA-N
XLogP2.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.19
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

2,2-dimethylpropyl 2-methoxyacetate
CID 542358
2,2-dimethylpropyl tetradecanoate
CID 14402139
4-O-(2-aminoacetyl) 1-O-(2,2-dimethylpropyl) butanedioate
CID 174947505
2,2-dimethylpropyl acetate
CID 13552
6-(2,2-dimethylpropoxy)-6-oxohexanoic acid;ethene
CID 175955666
2,2-dimethylpropyl 2,2-dichloropropanoate
CID 90264258
2,2-dimethylpropyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 153493812
2,2-dimethylpropyl 5,5-dimethyl-4-oxohexanoate
CID 90394220
2,2-dimethylpropyl 2-cyanoacetate
CID 19389183
2,2-dimethylpropyl carboniodidate
CID 71320370
2,2-dimethylpropyl 4-bromo-3-hydroxybutanoate
CID 139975493
2,2-dimethylpropyl 2-[(E)-prop-1-enoxy]acetate
CID 140890180

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl butanoate;yttrium?
The IUPAC name of 2,2-dimethylpropyl butanoate;yttrium (CID 58176061) is 2,2-dimethylpropyl butanoate;yttrium.
What is the SMILES notation for 2,2-dimethylpropyl butanoate;yttrium?
The canonical SMILES for 2,2-dimethylpropyl butanoate;yttrium is C[CH-]CC(=O)OCC(C)(C)C.[Y].
What is the InChIKey of 2,2-dimethylpropyl butanoate;yttrium?
The InChIKey is JOESGXLCUMANKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O2.Y/c1-5-6-8(10)11-7-9(2,3)4;/h5H,6-7H2,1-4H3;/q-1;.
What are the key properties of 2,2-dimethylpropyl butanoate;yttrium?
2,2-dimethylpropyl butanoate;yttrium has a molecular weight of 246.14 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl butanoate;yttrium is sourced from PubChem (CID 58176061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).