3,4-dimethylpentan-2-one;methane;2-methylbutane;3-methylbutan-2-one;tris(yttrium)

C20H45O2Y3-3 — CID 162038151

IUPAC3,4-dimethylpentan-2-one;methane;2-methylbutane;3-methylbutan-2-one;tris(yttrium)
SMILESC.C.C.CC(=O)C(C)[C-](C)C.CC(=O)[C-](C)C.CC[C-](C)C.[Y].[Y].[Y]
InChIInChI=1S/C7H13O.C5H9O.C5H11.3CH4.3Y/c1-5(2)6(3)7(4)8;1-4(2)5(3)6;1-4-5(2)3;;;;;;/h6H,1-4H3;1-3H3;4H2,1-3H3;3*1H4;;;/q3*-1;;;;;;
InChIKeyASJPPSSKMNTDBV-UHFFFAOYSA-N
MW584.30 g/mol
LogP6.93
Rot. Bonds4

About 3,4-dimethylpentan-2-one;methane;2-methylbutane;3-methylbutan-2-one;tris(yttrium)

3,4-dimethylpentan-2-one;methane;2-methylbutane;3-methylbutan-2-one;tris(yttrium) (PubChem CID 162038151) has the molecular formula C20H45O2Y3-3 and a molecular weight of 584.30 g/mol. Its IUPAC name is 3,4-dimethylpentan-2-one;methane;2-methylbutane;3-methylbutan-2-one;tris(yttrium).

Molecular Properties

Compound Name3,4-dimethylpentan-2-one;methane;2-methylbutane;3-methylbutan-2-one;tris(yttrium)
PubChem CID162038151
Molecular FormulaC20H45O2Y3-3
Molecular Weight584.30 g/mol
Exact Mass584.06
IUPAC Name3,4-dimethylpentan-2-one;methane;2-methylbutane;3-methylbutan-2-one;tris(yttrium)
SMILESC.C.C.CC(=O)C(C)[C-](C)C.CC(=O)[C-](C)C.CC[C-](C)C.[Y].[Y].[Y]
InChIInChI=1S/C7H13O.C5H9O.C5H11.3CH4.3Y/c1-5(2)6(3)7(4)8;1-4(2)5(3)6;1-4-5(2)3;;;;;;/h6H,1-4H3;1-3H3;4H2,1-3H3;3*1H4;;;/q3*-1;;;;;;
InChIKeyASJPPSSKMNTDBV-UHFFFAOYSA-N
XLogP6.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.30
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,4-dimethylpentan-2-one;methane;2-methylbutane;3-methylbutan-2-one;tris(yttrium) with MolForge

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Related Compounds

3-methylbutan-2-one;yttrium(3+)
CID 23390008
2-methylbutane;phosphane;tungsten;yttrium
CID 159996600
acetic acid;2-methylbutane
CID 172862544
2-methyl-3-oxobutanethioate
CID 22568353
methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide
CID 159729828
3,6-diacetyloctane-2,7-dione
CID 4712238
2-amino-4-methylpentanoic acid;yttrium
CID 59162877
3,4-dimethyloctane-2,5-dione
CID 59801697
(3S,4R)-3-(ethylamino)-4-methyl-5-sulfanylpentan-2-one
CID 90335980
3-acetylpentane-2,4-dione;bis(propan-1-ol);titanium
CID 159267821
3,3-dimethylbutan-2-one;2-methylbutane
CID 91459434
3-methylbutan-2-one;3-methylpentan-2-one
CID 159429251

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpentan-2-one;methane;2-methylbutane;3-methylbutan-2-one;tris(yttrium)?
The IUPAC name of 3,4-dimethylpentan-2-one;methane;2-methylbutane;3-methylbutan-2-one;tris(yttrium) (CID 162038151) is 3,4-dimethylpentan-2-one;methane;2-methylbutane;3-methylbutan-2-one;tris(yttrium).
What is the SMILES notation for 3,4-dimethylpentan-2-one;methane;2-methylbutane;3-methylbutan-2-one;tris(yttrium)?
The canonical SMILES for 3,4-dimethylpentan-2-one;methane;2-methylbutane;3-methylbutan-2-one;tris(yttrium) is C.C.C.CC(=O)C(C)[C-](C)C.CC(=O)[C-](C)C.CC[C-](C)C.[Y].[Y].[Y].
What is the InChIKey of 3,4-dimethylpentan-2-one;methane;2-methylbutane;3-methylbutan-2-one;tris(yttrium)?
The InChIKey is ASJPPSSKMNTDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O.C5H9O.C5H11.3CH4.3Y/c1-5(2)6(3)7(4)8;1-4(2)5(3)6;1-4-5(2)3;;;;;;/h6H,1-4H3;1-3H3;4H2,1-3H3;3*1H4;;;/q3*-1;;;;;;.
What are the key properties of 3,4-dimethylpentan-2-one;methane;2-methylbutane;3-methylbutan-2-one;tris(yttrium)?
3,4-dimethylpentan-2-one;methane;2-methylbutane;3-methylbutan-2-one;tris(yttrium) has a molecular weight of 584.30 g/mol, XLogP of 6.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpentan-2-one;methane;2-methylbutane;3-methylbutan-2-one;tris(yttrium) is sourced from PubChem (CID 162038151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).