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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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).