butane;carbanide;yttrium(3+)

C5H12Y+ — CID 20617495

IUPACbutane;carbanide;yttrium(3+)
SMILESC[CH-]CC.[CH3-].[Y+3]
InChIInChI=1S/C4H9.CH3.Y/c1-3-4-2;;/h3H,4H2,1-2H3;1H3;/q2*-1;+3
InChIKeyYEMHBSMLXYGZJL-UHFFFAOYSA-N
MW161.06 g/mol
LogP2.07
Rot. Bonds1

About butane;carbanide;yttrium(3+)

butane;carbanide;yttrium(3+) (PubChem CID 20617495) has the molecular formula C5H12Y+ and a molecular weight of 161.06 g/mol. Its IUPAC name is butane;carbanide;yttrium(3+).

Molecular Properties

Compound Namebutane;carbanide;yttrium(3+)
PubChem CID20617495
Molecular FormulaC5H12Y+
Molecular Weight161.06 g/mol
Exact Mass161.00
IUPAC Namebutane;carbanide;yttrium(3+)
SMILESC[CH-]CC.[CH3-].[Y+3]
InChIInChI=1S/C4H9.CH3.Y/c1-3-4-2;;/h3H,4H2,1-2H3;1H3;/q2*-1;+3
InChIKeyYEMHBSMLXYGZJL-UHFFFAOYSA-N
XLogP2.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.06
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of butane;carbanide;yttrium(3+)?
The IUPAC name of butane;carbanide;yttrium(3+) (CID 20617495) is butane;carbanide;yttrium(3+).
What is the SMILES notation for butane;carbanide;yttrium(3+)?
The canonical SMILES for butane;carbanide;yttrium(3+) is C[CH-]CC.[CH3-].[Y+3].
What is the InChIKey of butane;carbanide;yttrium(3+)?
The InChIKey is YEMHBSMLXYGZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.CH3.Y/c1-3-4-2;;/h3H,4H2,1-2H3;1H3;/q2*-1;+3.
What are the key properties of butane;carbanide;yttrium(3+)?
butane;carbanide;yttrium(3+) has a molecular weight of 161.06 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;carbanide;yttrium(3+) is sourced from PubChem (CID 20617495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).