ethane;pent-2-yne;yttrium

C7H12Y-2 — CID 59710960

IUPACethane;pent-2-yne;yttrium
SMILES[CH2-]C.[CH2-]CC#CC.[Y]
InChIInChI=1S/C5H7.C2H5.Y/c1-3-5-4-2;1-2;/h1,3H2,2H3;1H2,2H3;/q2*-1;
InChIKeyOVQLGKFEBPKTGI-UHFFFAOYSA-N
MW185.08 g/mol
LogP2.07
Rot. Bonds

About ethane;pent-2-yne;yttrium

ethane;pent-2-yne;yttrium (PubChem CID 59710960) has the molecular formula C7H12Y-2 and a molecular weight of 185.08 g/mol. Its IUPAC name is ethane;pent-2-yne;yttrium.

Molecular Properties

Compound Nameethane;pent-2-yne;yttrium
PubChem CID59710960
Molecular FormulaC7H12Y-2
Molecular Weight185.08 g/mol
Exact Mass185.00
IUPAC Nameethane;pent-2-yne;yttrium
SMILES[CH2-]C.[CH2-]CC#CC.[Y]
InChIInChI=1S/C5H7.C2H5.Y/c1-3-5-4-2;1-2;/h1,3H2,2H3;1H2,2H3;/q2*-1;
InChIKeyOVQLGKFEBPKTGI-UHFFFAOYSA-N
XLogP2.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.08
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 ethane;pent-2-yne;yttrium?
The IUPAC name of ethane;pent-2-yne;yttrium (CID 59710960) is ethane;pent-2-yne;yttrium.
What is the SMILES notation for ethane;pent-2-yne;yttrium?
The canonical SMILES for ethane;pent-2-yne;yttrium is [CH2-]C.[CH2-]CC#CC.[Y].
What is the InChIKey of ethane;pent-2-yne;yttrium?
The InChIKey is OVQLGKFEBPKTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7.C2H5.Y/c1-3-5-4-2;1-2;/h1,3H2,2H3;1H2,2H3;/q2*-1;.
What are the key properties of ethane;pent-2-yne;yttrium?
ethane;pent-2-yne;yttrium has a molecular weight of 185.08 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pent-2-yne;yttrium is sourced from PubChem (CID 59710960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).