carbanide;3,3-dimethylheptane-1,5-dione;yttrium

C10H18O2Y-2 — CID 157371416

IUPACcarbanide;3,3-dimethylheptane-1,5-dione;yttrium
SMILESCCC(=O)CC(C)(C)C[C-]=O.[CH3-].[Y]
InChIInChI=1S/C9H15O2.CH3.Y/c1-4-8(11)7-9(2,3)5-6-10;;/h4-5,7H2,1-3H3;1H3;/q2*-1;
InChIKeyHLNAKMLBIJLNSC-UHFFFAOYSA-N
MW259.16 g/mol
LogP2.33
Rot. Bonds5

About carbanide;3,3-dimethylheptane-1,5-dione;yttrium

carbanide;3,3-dimethylheptane-1,5-dione;yttrium (PubChem CID 157371416) has the molecular formula C10H18O2Y-2 and a molecular weight of 259.16 g/mol. Its IUPAC name is carbanide;3,3-dimethylheptane-1,5-dione;yttrium.

Molecular Properties

Compound Namecarbanide;3,3-dimethylheptane-1,5-dione;yttrium
PubChem CID157371416
Molecular FormulaC10H18O2Y-2
Molecular Weight259.16 g/mol
Exact Mass259.04
IUPAC Namecarbanide;3,3-dimethylheptane-1,5-dione;yttrium
SMILESCCC(=O)CC(C)(C)C[C-]=O.[CH3-].[Y]
InChIInChI=1S/C9H15O2.CH3.Y/c1-4-8(11)7-9(2,3)5-6-10;;/h4-5,7H2,1-3H3;1H3;/q2*-1;
InChIKeyHLNAKMLBIJLNSC-UHFFFAOYSA-N
XLogP2.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 52.33
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

5,5-dihydroxyhexan-3-one
CID 57119015
5-hydroxy-5-methyloctan-3-one
CID 87431906
4,4,6,6-tetramethyl-8-oxodecanoic acid
CID 89192992
5-amino-5-methylheptan-3-one
CID 21330457
5-hydroxy-5,6-dimethylheptan-3-one
CID 134924027
pentan-3-one;trihydrochloride
CID 172711203
hydrogen peroxide;pentan-3-one
CID 18361632
2-methoxy-2-methylpropane;pentan-3-one
CID 87285903
(5E)-5-hydroxyiminoheptan-3-one
CID 88798482
2-hydroxy-2-(2-oxobutyl)butanedioic acid
CID 122595284
7,7,8,8,8-pentafluorooctane-3,5-dione
CID 130395599
2-(2-methyl-4-oxohexan-2-yl)oxypropan-2-yl propanoate
CID 58639758

Frequently Asked Questions

What is the IUPAC name of carbanide;3,3-dimethylheptane-1,5-dione;yttrium?
The IUPAC name of carbanide;3,3-dimethylheptane-1,5-dione;yttrium (CID 157371416) is carbanide;3,3-dimethylheptane-1,5-dione;yttrium.
What is the SMILES notation for carbanide;3,3-dimethylheptane-1,5-dione;yttrium?
The canonical SMILES for carbanide;3,3-dimethylheptane-1,5-dione;yttrium is CCC(=O)CC(C)(C)C[C-]=O.[CH3-].[Y].
What is the InChIKey of carbanide;3,3-dimethylheptane-1,5-dione;yttrium?
The InChIKey is HLNAKMLBIJLNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O2.CH3.Y/c1-4-8(11)7-9(2,3)5-6-10;;/h4-5,7H2,1-3H3;1H3;/q2*-1;.
What are the key properties of carbanide;3,3-dimethylheptane-1,5-dione;yttrium?
carbanide;3,3-dimethylheptane-1,5-dione;yttrium has a molecular weight of 259.16 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3,3-dimethylheptane-1,5-dione;yttrium is sourced from PubChem (CID 157371416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).