carbanide;4,4-dimethylpent-2-yne;methane;methanone;bis(yttrium)

C11H23OY2-3 — CID 158819909

IUPACcarbanide;4,4-dimethylpent-2-yne;methane;methanone;bis(yttrium)
SMILESC.CC#CC(C)(C)C.[CH-]=O.[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/C7H12.CHO.CH4.2CH3.2Y/c1-5-6-7(2,3)4;1-2;;;;;/h1-4H3;1H;1H4;2*1H3;;/q;-1;;2*-1;;
InChIKeyDZKLDRWSIOZNSD-UHFFFAOYSA-N
MW349.12 g/mol
LogP3.31
Rot. Bonds

About carbanide;4,4-dimethylpent-2-yne;methane;methanone;bis(yttrium)

carbanide;4,4-dimethylpent-2-yne;methane;methanone;bis(yttrium) (PubChem CID 158819909) has the molecular formula C11H23OY2-3 and a molecular weight of 349.12 g/mol. Its IUPAC name is carbanide;4,4-dimethylpent-2-yne;methane;methanone;bis(yttrium).

Molecular Properties

Compound Namecarbanide;4,4-dimethylpent-2-yne;methane;methanone;bis(yttrium)
PubChem CID158819909
Molecular FormulaC11H23OY2-3
Molecular Weight349.12 g/mol
Exact Mass348.99
IUPAC Namecarbanide;4,4-dimethylpent-2-yne;methane;methanone;bis(yttrium)
SMILESC.CC#CC(C)(C)C.[CH-]=O.[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/C7H12.CHO.CH4.2CH3.2Y/c1-5-6-7(2,3)4;1-2;;;;;/h1-4H3;1H;1H4;2*1H3;;/q;-1;;2*-1;;
InChIKeyDZKLDRWSIOZNSD-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.12
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;4,4-dimethylpent-2-yne;methane;methanone;bis(yttrium)?
The IUPAC name of carbanide;4,4-dimethylpent-2-yne;methane;methanone;bis(yttrium) (CID 158819909) is carbanide;4,4-dimethylpent-2-yne;methane;methanone;bis(yttrium).
What is the SMILES notation for carbanide;4,4-dimethylpent-2-yne;methane;methanone;bis(yttrium)?
The canonical SMILES for carbanide;4,4-dimethylpent-2-yne;methane;methanone;bis(yttrium) is C.CC#CC(C)(C)C.[CH-]=O.[CH3-].[CH3-].[Y].[Y].
What is the InChIKey of carbanide;4,4-dimethylpent-2-yne;methane;methanone;bis(yttrium)?
The InChIKey is DZKLDRWSIOZNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.CHO.CH4.2CH3.2Y/c1-5-6-7(2,3)4;1-2;;;;;/h1-4H3;1H;1H4;2*1H3;;/q;-1;;2*-1;;.
What are the key properties of carbanide;4,4-dimethylpent-2-yne;methane;methanone;bis(yttrium)?
carbanide;4,4-dimethylpent-2-yne;methane;methanone;bis(yttrium) has a molecular weight of 349.12 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4,4-dimethylpent-2-yne;methane;methanone;bis(yttrium) is sourced from PubChem (CID 158819909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).