ethylbenzene;2-[ethyl(ethyl)amino]ethanol;yttrium

C14H23NOY-2 — CID 59660731

IUPACethylbenzene;2-[ethyl(ethyl)amino]ethanol;yttrium
SMILESCCc1cc[c-]cc1.[CH2-]CN(CC)CCO.[Y]
InChIInChI=1S/C8H9.C6H14NO.Y/c1-2-8-6-4-3-5-7-8;1-3-7(4-2)5-6-8;/h4-7H,2H2,1H3;8H,1,3-6H2,2H3;/q2*-1;
InChIKeyFNKOKLNUVQBLST-UHFFFAOYSA-N
MW310.25 g/mol
LogP2.18
Rot. Bonds5

About ethylbenzene;2-[ethyl(ethyl)amino]ethanol;yttrium

ethylbenzene;2-[ethyl(ethyl)amino]ethanol;yttrium (PubChem CID 59660731) has the molecular formula C14H23NOY-2 and a molecular weight of 310.25 g/mol. Its IUPAC name is ethylbenzene;2-[ethyl(ethyl)amino]ethanol;yttrium.

Molecular Properties

Compound Nameethylbenzene;2-[ethyl(ethyl)amino]ethanol;yttrium
PubChem CID59660731
Molecular FormulaC14H23NOY-2
Molecular Weight310.25 g/mol
Exact Mass310.08
IUPAC Nameethylbenzene;2-[ethyl(ethyl)amino]ethanol;yttrium
SMILESCCc1cc[c-]cc1.[CH2-]CN(CC)CCO.[Y]
InChIInChI=1S/C8H9.C6H14NO.Y/c1-2-8-6-4-3-5-7-8;1-3-7(4-2)5-6-8;/h4-7H,2H2,1H3;8H,1,3-6H2,2H3;/q2*-1;
InChIKeyFNKOKLNUVQBLST-UHFFFAOYSA-N
XLogP2.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 ethylbenzene;2-[ethyl(ethyl)amino]ethanol;yttrium?
The IUPAC name of ethylbenzene;2-[ethyl(ethyl)amino]ethanol;yttrium (CID 59660731) is ethylbenzene;2-[ethyl(ethyl)amino]ethanol;yttrium.
What is the SMILES notation for ethylbenzene;2-[ethyl(ethyl)amino]ethanol;yttrium?
The canonical SMILES for ethylbenzene;2-[ethyl(ethyl)amino]ethanol;yttrium is CCc1cc[c-]cc1.[CH2-]CN(CC)CCO.[Y].
What is the InChIKey of ethylbenzene;2-[ethyl(ethyl)amino]ethanol;yttrium?
The InChIKey is FNKOKLNUVQBLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9.C6H14NO.Y/c1-2-8-6-4-3-5-7-8;1-3-7(4-2)5-6-8;/h4-7H,2H2,1H3;8H,1,3-6H2,2H3;/q2*-1;.
What are the key properties of ethylbenzene;2-[ethyl(ethyl)amino]ethanol;yttrium?
ethylbenzene;2-[ethyl(ethyl)amino]ethanol;yttrium has a molecular weight of 310.25 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;2-[ethyl(ethyl)amino]ethanol;yttrium is sourced from PubChem (CID 59660731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).