3-methylpentane;yttrium

C6H12Y-2 — CID 59046593

IUPAC3-methylpentane;yttrium
SMILES[CH2-]C[C-](C)CC.[Y]
InChIInChI=1S/C6H12.Y/c1-4-6(3)5-2;/h1,4-5H2,2-3H3;/q-2;
InChIKeyXWUTXIMPYQVURW-UHFFFAOYSA-N
MW173.07 g/mol
LogP2.21
Rot. Bonds2

About 3-methylpentane;yttrium

3-methylpentane;yttrium (PubChem CID 59046593) has the molecular formula C6H12Y-2 and a molecular weight of 173.07 g/mol. Its IUPAC name is 3-methylpentane;yttrium.

Molecular Properties

Compound Name3-methylpentane;yttrium
PubChem CID59046593
Molecular FormulaC6H12Y-2
Molecular Weight173.07 g/mol
Exact Mass173.00
IUPAC Name3-methylpentane;yttrium
SMILES[CH2-]C[C-](C)CC.[Y]
InChIInChI=1S/C6H12.Y/c1-4-6(3)5-2;/h1,4-5H2,2-3H3;/q-2;
InChIKeyXWUTXIMPYQVURW-UHFFFAOYSA-N
XLogP2.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.07
LogP ≤ 52.21
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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ethane;methane;2-methylpropane;propane;vanadium(2+)
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carbanide;methane;propane;yttrium
CID 160670270
ethylsulfanylethane;2-methylpropane;yttrium(3+)
CID 153435739
2-methylbutane;2-methylpropane;yttrium
CID 58618972
butane;propane;yttrium
CID 59895294
butane;carbanide;tungsten(2+);yttrium
CID 167712375
magnesium;butane;chloride
CID 6101660
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CID 22477088

Frequently Asked Questions

What is the IUPAC name of 3-methylpentane;yttrium?
The IUPAC name of 3-methylpentane;yttrium (CID 59046593) is 3-methylpentane;yttrium.
What is the SMILES notation for 3-methylpentane;yttrium?
The canonical SMILES for 3-methylpentane;yttrium is [CH2-]C[C-](C)CC.[Y].
What is the InChIKey of 3-methylpentane;yttrium?
The InChIKey is XWUTXIMPYQVURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.Y/c1-4-6(3)5-2;/h1,4-5H2,2-3H3;/q-2;.
What are the key properties of 3-methylpentane;yttrium?
3-methylpentane;yttrium has a molecular weight of 173.07 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentane;yttrium is sourced from PubChem (CID 59046593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).