butan-1-ol;yttrium

C4H9OY- — CID 59344107

IUPACbutan-1-ol;yttrium
SMILES[CH2-]CCCO.[Y]
InChIInChI=1S/C4H9O.Y/c1-2-3-4-5;/h5H,1-4H2;/q-1;
InChIKeyMMDHKUDFIVUNJX-UHFFFAOYSA-N
MW162.02 g/mol
LogP0.59
Rot. Bonds2

About butan-1-ol;yttrium

butan-1-ol;yttrium (PubChem CID 59344107) has the molecular formula C4H9OY- and a molecular weight of 162.02 g/mol. Its IUPAC name is butan-1-ol;yttrium.

Molecular Properties

Compound Namebutan-1-ol;yttrium
PubChem CID59344107
Molecular FormulaC4H9OY-
Molecular Weight162.02 g/mol
Exact Mass161.97
IUPAC Namebutan-1-ol;yttrium
SMILES[CH2-]CCCO.[Y]
InChIInChI=1S/C4H9O.Y/c1-2-3-4-5;/h5H,1-4H2;/q-1;
InChIKeyMMDHKUDFIVUNJX-UHFFFAOYSA-N
XLogP0.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.02
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 139987504
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CID 19093166
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CID 141209769
bis(octan-1-ol);oxotitanium(2+);bis(tetradecane)
CID 87176299
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CID 173377605
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CID 21202869

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;yttrium?
The IUPAC name of butan-1-ol;yttrium (CID 59344107) is butan-1-ol;yttrium.
What is the SMILES notation for butan-1-ol;yttrium?
The canonical SMILES for butan-1-ol;yttrium is [CH2-]CCCO.[Y].
What is the InChIKey of butan-1-ol;yttrium?
The InChIKey is MMDHKUDFIVUNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.Y/c1-2-3-4-5;/h5H,1-4H2;/q-1;.
What are the key properties of butan-1-ol;yttrium?
butan-1-ol;yttrium has a molecular weight of 162.02 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;yttrium is sourced from PubChem (CID 59344107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).