butane;propane;yttrium

C7H16Y-2 — CID 59895294

IUPACbutane;propane;yttrium
SMILES[CH2-]CC.[CH2-]CCC.[Y]
InChIInChI=1S/C4H9.C3H7.Y/c1-3-4-2;1-3-2;/h1,3-4H2,2H3;1,3H2,2H3;/q2*-1;
InChIKeyNMZWNNZAYZUNAC-UHFFFAOYSA-N
MW189.11 g/mol
LogP2.85
Rot. Bonds1

About butane;propane;yttrium

butane;propane;yttrium (PubChem CID 59895294) has the molecular formula C7H16Y-2 and a molecular weight of 189.11 g/mol. Its IUPAC name is butane;propane;yttrium.

Molecular Properties

Compound Namebutane;propane;yttrium
PubChem CID59895294
Molecular FormulaC7H16Y-2
Molecular Weight189.11 g/mol
Exact Mass189.03
IUPAC Namebutane;propane;yttrium
SMILES[CH2-]CC.[CH2-]CCC.[Y]
InChIInChI=1S/C4H9.C3H7.Y/c1-3-4-2;1-3-2;/h1,3-4H2,2H3;1,3H2,2H3;/q2*-1;
InChIKeyNMZWNNZAYZUNAC-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.11
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze butane;propane;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butane;nickel
CID 57419181
butane;carbanide;tungsten(2+);yttrium
CID 167712375
butane;cadmium(2+);chloride
CID 22477088
magnesium;butane;chloride
CID 6101660
butane;zirconium(4+);dichloride
CID 87374724
butane;phosphane;ruthenium(4+);chloride
CID 88846853
butane;platinum(2+)
CID 85439871
butane;lithium(1-)
CID 154172744
butane;tris(rubidium(1+))
CID 59203345
butane;terbium(3+)
CID 21057379
butane;ethene;methane;tris(yttrium)
CID 158409279
lithium;azane;butane
CID 22988541

Frequently Asked Questions

What is the IUPAC name of butane;propane;yttrium?
The IUPAC name of butane;propane;yttrium (CID 59895294) is butane;propane;yttrium.
What is the SMILES notation for butane;propane;yttrium?
The canonical SMILES for butane;propane;yttrium is [CH2-]CC.[CH2-]CCC.[Y].
What is the InChIKey of butane;propane;yttrium?
The InChIKey is NMZWNNZAYZUNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.C3H7.Y/c1-3-4-2;1-3-2;/h1,3-4H2,2H3;1,3H2,2H3;/q2*-1;.
What are the key properties of butane;propane;yttrium?
butane;propane;yttrium has a molecular weight of 189.11 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;propane;yttrium is sourced from PubChem (CID 59895294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).