but-1-ene;2-methylpropane;yttrium

C8H16Y-2 — CID 178013549

IUPACbut-1-ene;2-methylpropane;yttrium
SMILESCC(C)C.[H]/[C-]=C/C[CH2-].[Y]
InChIInChI=1S/C4H10.C4H6.Y/c1-4(2)3;1-3-4-2;/h4H,1-3H3;1,3H,2,4H2;/q;-2;
InChIKeyLHSQTYZPFFIEPS-UHFFFAOYSA-N
MW201.12 g/mol
LogP2.86
Rot. Bonds1

About but-1-ene;2-methylpropane;yttrium

but-1-ene;2-methylpropane;yttrium (PubChem CID 178013549) has the molecular formula C8H16Y-2 and a molecular weight of 201.12 g/mol. Its IUPAC name is but-1-ene;2-methylpropane;yttrium.

Molecular Properties

Compound Namebut-1-ene;2-methylpropane;yttrium
PubChem CID178013549
Molecular FormulaC8H16Y-2
Molecular Weight201.12 g/mol
Exact Mass201.03
IUPAC Namebut-1-ene;2-methylpropane;yttrium
SMILESCC(C)C.[H]/[C-]=C/C[CH2-].[Y]
InChIInChI=1S/C4H10.C4H6.Y/c1-4(2)3;1-3-4-2;/h4H,1-3H3;1,3H,2,4H2;/q;-2;
InChIKeyLHSQTYZPFFIEPS-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.12
LogP ≤ 52.86
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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Frequently Asked Questions

What is the IUPAC name of but-1-ene;2-methylpropane;yttrium?
The IUPAC name of but-1-ene;2-methylpropane;yttrium (CID 178013549) is but-1-ene;2-methylpropane;yttrium.
What is the SMILES notation for but-1-ene;2-methylpropane;yttrium?
The canonical SMILES for but-1-ene;2-methylpropane;yttrium is CC(C)C.[H]/[C-]=C/C[CH2-].[Y].
What is the InChIKey of but-1-ene;2-methylpropane;yttrium?
The InChIKey is LHSQTYZPFFIEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C4H6.Y/c1-4(2)3;1-3-4-2;/h4H,1-3H3;1,3H,2,4H2;/q;-2;.
What are the key properties of but-1-ene;2-methylpropane;yttrium?
but-1-ene;2-methylpropane;yttrium has a molecular weight of 201.12 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;2-methylpropane;yttrium is sourced from PubChem (CID 178013549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).