3-methylbutan-1-one;pentane;rubidium(1+);yttrium

C10H19ORbY-2 — CID 58715484

IUPAC3-methylbutan-1-one;pentane;rubidium(1+);yttrium
SMILESC[C-](C)C[C-]=O.[CH2-]CCCC.[Rb+].[Y]
InChIInChI=1S/C5H8O.C5H11.Rb.Y/c1-5(2)3-4-6;1-3-5-4-2;;/h3H2,1-2H3;1,3-5H2,2H3;;/q-2;-1;+1;
InChIKeyTUUAUKMLAUNTLM-UHFFFAOYSA-N
MW329.64 g/mol
LogP0.11
Rot. Bonds4

About 3-methylbutan-1-one;pentane;rubidium(1+);yttrium

3-methylbutan-1-one;pentane;rubidium(1+);yttrium (PubChem CID 58715484) has the molecular formula C10H19ORbY-2 and a molecular weight of 329.64 g/mol. Its IUPAC name is 3-methylbutan-1-one;pentane;rubidium(1+);yttrium.

Molecular Properties

Compound Name3-methylbutan-1-one;pentane;rubidium(1+);yttrium
PubChem CID58715484
Molecular FormulaC10H19ORbY-2
Molecular Weight329.64 g/mol
Exact Mass328.96
IUPAC Name3-methylbutan-1-one;pentane;rubidium(1+);yttrium
SMILESC[C-](C)C[C-]=O.[CH2-]CCCC.[Rb+].[Y]
InChIInChI=1S/C5H8O.C5H11.Rb.Y/c1-5(2)3-4-6;1-3-5-4-2;;/h3H2,1-2H3;1,3-5H2,2H3;;/q-2;-1;+1;
InChIKeyTUUAUKMLAUNTLM-UHFFFAOYSA-N
XLogP0.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.64
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

palladium(2+);pentane;chloride
CID 88629932
potassium pentane
CID 23495497
zinc;carbanide;pentane
CID 59938610
carbanide;iridium(3+);pentane
CID 23526392
carbanide;gadolinium(2+);pentane
CID 174464461
magnesium;carbanide;pentane;hydrobromide
CID 118089273
bis(hexane);hexane;propane;yttrium
CID 160746631
iodotitanium(3+);tris(pentane)
CID 18688406
magnesium;hexane;pentane
CID 19799394
dichlorotitanium;bis(pentane)
CID 18688492
magnesium;pentadecane;chloride
CID 88592756
butane;ethanone;tungsten;yttrium
CID 158462675

Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-1-one;pentane;rubidium(1+);yttrium?
The IUPAC name of 3-methylbutan-1-one;pentane;rubidium(1+);yttrium (CID 58715484) is 3-methylbutan-1-one;pentane;rubidium(1+);yttrium.
What is the SMILES notation for 3-methylbutan-1-one;pentane;rubidium(1+);yttrium?
The canonical SMILES for 3-methylbutan-1-one;pentane;rubidium(1+);yttrium is C[C-](C)C[C-]=O.[CH2-]CCCC.[Rb+].[Y].
What is the InChIKey of 3-methylbutan-1-one;pentane;rubidium(1+);yttrium?
The InChIKey is TUUAUKMLAUNTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.C5H11.Rb.Y/c1-5(2)3-4-6;1-3-5-4-2;;/h3H2,1-2H3;1,3-5H2,2H3;;/q-2;-1;+1;.
What are the key properties of 3-methylbutan-1-one;pentane;rubidium(1+);yttrium?
3-methylbutan-1-one;pentane;rubidium(1+);yttrium has a molecular weight of 329.64 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-1-one;pentane;rubidium(1+);yttrium is sourced from PubChem (CID 58715484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).